N-[3-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]phenyl]acetamide

C22H22N4O3 — CID 95116514

IUPACN-[3-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCC[C@@H]2c2nc(-c3cccc(C)c3)no2)c1
InChIInChI=1S/C22H22N4O3/c1-14-6-3-7-16(12-14)20-24-21(29-25-20)19-10-5-11-26(19)22(28)17-8-4-9-18(13-17)23-15(2)27/h3-4,6-9,12-13,19H,5,10-11H2,1-2H3,(H,23,27)/t19-/m1/s1
InChIKeySWASPFDUNFEHTO-LJQANCHMSA-N
MW390.44 g/mol
LogP3.98
Rot. Bonds4

About N-[3-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]phenyl]acetamide

N-[3-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]phenyl]acetamide (PubChem CID 95116514) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[3-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]phenyl]acetamide
PubChem CID95116514
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[3-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCC[C@@H]2c2nc(-c3cccc(C)c3)no2)c1
InChIInChI=1S/C22H22N4O3/c1-14-6-3-7-16(12-14)20-24-21(29-25-20)19-10-5-11-26(19)22(28)17-8-4-9-18(13-17)23-15(2)27/h3-4,6-9,12-13,19H,5,10-11H2,1-2H3,(H,23,27)/t19-/m1/s1
InChIKeySWASPFDUNFEHTO-LJQANCHMSA-N
XLogP3.98
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-methylphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7362376
(2S)-N-(3,4-dichlorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7288640
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 5009552
(2S)-N-(3,4-dimethylphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7271519
(2S)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 95057715
2-methyl-1-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 42765155
(2S)-N-(3-fluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7295920
N-(3,4-difluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 42765379
(2-bromophenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 42765191
cyclopentyl-[(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 812405
(2S)-N-cyclopentyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95116675
(3-chlorophenyl)-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 5040853

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[3-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]phenyl]acetamide (CID 95116514) is N-[3-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CCC[C@@H]2c2nc(-c3cccc(C)c3)no2)c1.
What is the InChIKey of N-[3-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]phenyl]acetamide?
The InChIKey is SWASPFDUNFEHTO-LJQANCHMSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-14-6-3-7-16(12-14)20-24-21(29-25-20)19-10-5-11-26(19)22(28)17-8-4-9-18(13-17)23-15(2)27/h3-4,6-9,12-13,19H,5,10-11H2,1-2H3,(H,23,27)/t19-/m1/s1.
What are the key properties of N-[3-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]phenyl]acetamide?
N-[3-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]phenyl]acetamide has a molecular weight of 390.44 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 95116514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).