1-(3-ethylphenyl)-4-[3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

C22H21N5O2 — CID 166233781

IUPAC1-(3-ethylphenyl)-4-[3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCCc1cccc(N2CC(c3nc(Cc4ccc5cn[nH]c5c4)no3)CC2=O)c1
InChIInChI=1S/C22H21N5O2/c1-2-14-4-3-5-18(8-14)27-13-17(11-21(27)28)22-24-20(26-29-22)10-15-6-7-16-12-23-25-19(16)9-15/h3-9,12,17H,2,10-11,13H2,1H3,(H,23,25)
InChIKeyWSCFTKDKSBDRCB-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.62
Rot. Bonds5

About 1-(3-ethylphenyl)-4-[3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

1-(3-ethylphenyl)-4-[3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 166233781) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-4-[3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-ethylphenyl)-4-[3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
PubChem CID166233781
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name1-(3-ethylphenyl)-4-[3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCCc1cccc(N2CC(c3nc(Cc4ccc5cn[nH]c5c4)no3)CC2=O)c1
InChIInChI=1S/C22H21N5O2/c1-2-14-4-3-5-18(8-14)27-13-17(11-21(27)28)22-24-20(26-29-22)10-15-6-7-16-12-23-25-19(16)9-15/h3-9,12,17H,2,10-11,13H2,1H3,(H,23,25)
InChIKeyWSCFTKDKSBDRCB-UHFFFAOYSA-N
XLogP3.62
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 93492650
5-cyclobutyl-3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazole
CID 155951249
1-(4-ethylphenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride
CID 120868561
1-(4-ethylphenyl)-4-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 126781592
4-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 71783653
(4R)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 51894123
4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-(4-propylphenyl)pyrrolidin-2-one
CID 120868130
cyclopropyl-[3-[3-(1H-indazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 138992195
4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(4-ethylphenyl)pyrrolidin-2-one;hydrochloride
CID 120892896
(4R)-1-(4-ethylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 41455288
1-(4-ethylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 16956006
4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 166224064

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-4-[3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The IUPAC name of 1-(3-ethylphenyl)-4-[3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 166233781) is 1-(3-ethylphenyl)-4-[3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-ethylphenyl)-4-[3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-ethylphenyl)-4-[3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is CCc1cccc(N2CC(c3nc(Cc4ccc5cn[nH]c5c4)no3)CC2=O)c1.
What is the InChIKey of 1-(3-ethylphenyl)-4-[3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The InChIKey is WSCFTKDKSBDRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-2-14-4-3-5-18(8-14)27-13-17(11-21(27)28)22-24-20(26-29-22)10-15-6-7-16-12-23-25-19(16)9-15/h3-9,12,17H,2,10-11,13H2,1H3,(H,23,25).
What are the key properties of 1-(3-ethylphenyl)-4-[3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
1-(3-ethylphenyl)-4-[3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one has a molecular weight of 387.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-4-[3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 166233781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).