(3R)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C27H24N4O4 — CID 92703521

IUPAC(3R)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(-c2noc(-c3ccccc3NC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)n2)cc1
InChIInChI=1S/C27H24N4O4/c1-17-7-11-20(12-8-17)31-16-19(15-24(31)32)26(33)28-23-6-4-3-5-22(23)27-29-25(30-35-27)18-9-13-21(34-2)14-10-18/h3-14,19H,15-16H2,1-2H3,(H,28,33)/t19-/m1/s1
InChIKeyBBKCOOBAOWUVCM-LJQANCHMSA-N
MW468.51 g/mol
LogP4.71
Rot. Bonds6

About (3R)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 92703521) has the molecular formula C27H24N4O4 and a molecular weight of 468.51 g/mol. Its IUPAC name is (3R)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID92703521
Molecular FormulaC27H24N4O4
Molecular Weight468.51 g/mol
Exact Mass468.18
IUPAC Name(3R)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(-c2noc(-c3ccccc3NC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)n2)cc1
InChIInChI=1S/C27H24N4O4/c1-17-7-11-20(12-8-17)31-16-19(15-24(31)32)26(33)28-23-6-4-3-5-22(23)27-29-25(30-35-27)18-9-13-21(34-2)14-10-18/h3-14,19H,15-16H2,1-2H3,(H,28,33)/t19-/m1/s1
InChIKeyBBKCOOBAOWUVCM-LJQANCHMSA-N
XLogP4.71
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92736384
(3R)-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92703513
(3S)-1-(4-methoxyphenyl)-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92703522
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46266860
(3R)-1-(2-methoxyphenyl)-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92736354
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 90563376
(3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92736380
(3S)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7033758
(3R)-N-(2-cyanophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7477759
1-(4-methoxyphenyl)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 56568532
(3S)-5-oxo-1-phenyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide
CID 94081056

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 92703521) is (3R)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(-c2noc(-c3ccccc3NC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)n2)cc1.
What is the InChIKey of (3R)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BBKCOOBAOWUVCM-LJQANCHMSA-N. The full InChI is InChI=1S/C27H24N4O4/c1-17-7-11-20(12-8-17)31-16-19(15-24(31)32)26(33)28-23-6-4-3-5-22(23)27-29-25(30-35-27)18-9-13-21(34-2)14-10-18/h3-14,19H,15-16H2,1-2H3,(H,28,33)/t19-/m1/s1.
What are the key properties of (3R)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 468.51 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92703521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).