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

C27H24N4O4 — CID 92736354

IUPAC(3R)-1-(2-methoxyphenyl)-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1C[C@H](C(=O)Nc2ccccc2-c2nc(-c3cccc(C)c3)no2)CC1=O
InChIInChI=1S/C27H24N4O4/c1-17-8-7-9-18(14-17)25-29-27(35-30-25)20-10-3-4-11-21(20)28-26(33)19-15-24(32)31(16-19)22-12-5-6-13-23(22)34-2/h3-14,19H,15-16H2,1-2H3,(H,28,33)/t19-/m1/s1
InChIKeyLDVUKDVGLSPQJP-LJQANCHMSA-N
MW468.51 g/mol
LogP4.71
Rot. Bonds6

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

(3R)-1-(2-methoxyphenyl)-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 92736354) has the molecular formula C27H24N4O4 and a molecular weight of 468.51 g/mol. Its IUPAC name is (3R)-1-(2-methoxyphenyl)-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-methoxyphenyl)-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID92736354
Molecular FormulaC27H24N4O4
Molecular Weight468.51 g/mol
Exact Mass468.18
IUPAC Name(3R)-1-(2-methoxyphenyl)-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1C[C@H](C(=O)Nc2ccccc2-c2nc(-c3cccc(C)c3)no2)CC1=O
InChIInChI=1S/C27H24N4O4/c1-17-8-7-9-18(14-17)25-29-27(35-30-25)20-10-3-4-11-21(20)28-26(33)19-15-24(32)31(16-19)22-12-5-6-13-23(22)34-2/h3-14,19H,15-16H2,1-2H3,(H,28,33)/t19-/m1/s1
InChIKeyLDVUKDVGLSPQJP-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-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92703513
(3R)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92703521
(3R)-N-(2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9098300
N-ethyl-1-(2-methoxyphenyl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 131895308
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4787816
(3S)-N-(2-fluorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7456530
1-(2-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 18885995
(3S)-1-(2-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 35036236
(3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056213
methyl 4,5-dimethoxy-2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 4799318
N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46266860

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methoxyphenyl)-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-methoxyphenyl)-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 92736354) is (3R)-1-(2-methoxyphenyl)-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-methoxyphenyl)-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-methoxyphenyl)-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide is COc1ccccc1N1C[C@H](C(=O)Nc2ccccc2-c2nc(-c3cccc(C)c3)no2)CC1=O.
What is the InChIKey of (3R)-1-(2-methoxyphenyl)-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LDVUKDVGLSPQJP-LJQANCHMSA-N. The full InChI is InChI=1S/C27H24N4O4/c1-17-8-7-9-18(14-17)25-29-27(35-30-25)20-10-3-4-11-21(20)28-26(33)19-15-24(32)31(16-19)22-12-5-6-13-23(22)34-2/h3-14,19H,15-16H2,1-2H3,(H,28,33)/t19-/m1/s1.
What are the key properties of (3R)-1-(2-methoxyphenyl)-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(2-methoxyphenyl)-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-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)-1-(2-methoxyphenyl)-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92736354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).