5-[4-[[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one

C101H93N19O14S2 — CID 159868983

IUPAC5-[4-[[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCO4)cc2)o1.O=c1[nH]nc(-c2ccc(CN3CCC[C@@H]3c3ccc4scnc4c3)cc2)o1.O=c1[nH]nc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCO4)cc2)o1.O=c1[nH]nc(-c2ccc(CN3CCC[C@H]3c3ccc4cccnc4n3)cc2)o1.O=c1[nH]nc(-c2ccc(CN3CCC[C@H]3c3ccc4scnc4c3)cc2)o1
InChIInChI=1S/C21H19N5O2.2C20H18N4O2S.2C20H19N3O4/c27-21-25-24-20(28-21)16-7-5-14(6-8-16)13-26-12-2-4-18(26)17-10-9-15-3-1-11-22-19(15)23-17;2*25-20-23-22-19(26-20)14-5-3-13(4-6-14)11-24-9-1-2-17(24)15-7-8-18-16(10-15)21-12-27-18;2*24-20-22-21-19(27-20)14-5-3-13(4-6-14)11-23-9-1-2-16(23)15-7-8-17-18(10-15)26-12-25-17/h1,3,5-11,18H,2,4,12-13H2,(H,25,27);2*3-8,10,12,17H,1-2,9,11H2,(H,23,25);2*3-8,10,16H,1-2,9,11-12H2,(H,22,24)/t18-;2*17-;2*16-/m01010/s1
InChIKeyNSCBAOOVEMGQAT-UFRCKILFSA-N
MW1861.11 g/mol
LogP17.45
Rot. Bonds20

About 5-[4-[[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one

5-[4-[[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 159868983) has the molecular formula C101H93N19O14S2 and a molecular weight of 1861.11 g/mol. Its IUPAC name is 5-[4-[[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[4-[[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID159868983
Molecular FormulaC101H93N19O14S2
Molecular Weight1861.11 g/mol
Exact Mass1859.66
IUPAC Name5-[4-[[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCO4)cc2)o1.O=c1[nH]nc(-c2ccc(CN3CCC[C@@H]3c3ccc4scnc4c3)cc2)o1.O=c1[nH]nc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCO4)cc2)o1.O=c1[nH]nc(-c2ccc(CN3CCC[C@H]3c3ccc4cccnc4n3)cc2)o1.O=c1[nH]nc(-c2ccc(CN3CCC[C@H]3c3ccc4scnc4c3)cc2)o1
InChIInChI=1S/C21H19N5O2.2C20H18N4O2S.2C20H19N3O4/c27-21-25-24-20(28-21)16-7-5-14(6-8-16)13-26-12-2-4-18(26)17-10-9-15-3-1-11-22-19(15)23-17;2*25-20-23-22-19(26-20)14-5-3-13(4-6-14)11-24-9-1-2-17(24)15-7-8-18-16(10-15)21-12-27-18;2*24-20-22-21-19(27-20)14-5-3-13(4-6-14)11-23-9-1-2-16(23)15-7-8-17-18(10-15)26-12-25-17/h1,3,5-11,18H,2,4,12-13H2,(H,25,27);2*3-8,10,12,17H,1-2,9,11H2,(H,23,25);2*3-8,10,16H,1-2,9,11-12H2,(H,22,24)/t18-;2*17-;2*16-/m01010/s1
InChIKeyNSCBAOOVEMGQAT-UFRCKILFSA-N
XLogP17.45
TPSA399.13 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001861.11
LogP ≤ 517.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 5-[4-[[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one
CID 159529558
5-[4-[[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one
CID 162173221

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[4-[[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one (CID 159868983) is 5-[4-[[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[4-[[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[4-[[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCO4)cc2)o1.O=c1[nH]nc(-c2ccc(CN3CCC[C@@H]3c3ccc4scnc4c3)cc2)o1.O=c1[nH]nc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCO4)cc2)o1.O=c1[nH]nc(-c2ccc(CN3CCC[C@H]3c3ccc4cccnc4n3)cc2)o1.O=c1[nH]nc(-c2ccc(CN3CCC[C@H]3c3ccc4scnc4c3)cc2)o1.
What is the InChIKey of 5-[4-[[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is NSCBAOOVEMGQAT-UFRCKILFSA-N. The full InChI is InChI=1S/C21H19N5O2.2C20H18N4O2S.2C20H19N3O4/c27-21-25-24-20(28-21)16-7-5-14(6-8-16)13-26-12-2-4-18(26)17-10-9-15-3-1-11-22-19(15)23-17;2*25-20-23-22-19(26-20)14-5-3-13(4-6-14)11-24-9-1-2-17(24)15-7-8-18-16(10-15)21-12-27-18;2*24-20-22-21-19(27-20)14-5-3-13(4-6-14)11-23-9-1-2-16(23)15-7-8-17-18(10-15)26-12-25-17/h1,3,5-11,18H,2,4,12-13H2,(H,25,27);2*3-8,10,12,17H,1-2,9,11H2,(H,23,25);2*3-8,10,16H,1-2,9,11-12H2,(H,22,24)/t18-;2*17-;2*16-/m01010/s1.
What are the key properties of 5-[4-[[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one?
5-[4-[[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 1861.11 g/mol, XLogP of 17.45, 20 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 159868983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).