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

C27H24N4O5 — CID 92703522

IUPAC(3S)-1-(4-methoxyphenyl)-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(-c2noc(-c3cccc(NC(=O)[C@H]4CC(=O)N(c5ccc(OC)cc5)C4)c3)n2)cc1
InChIInChI=1S/C27H24N4O5/c1-34-22-10-6-17(7-11-22)25-29-27(36-30-25)18-4-3-5-20(14-18)28-26(33)19-15-24(32)31(16-19)21-8-12-23(35-2)13-9-21/h3-14,19H,15-16H2,1-2H3,(H,28,33)/t19-/m0/s1
InChIKeyYJUOZGNFMLBMKU-IBGZPJMESA-N
MW484.51 g/mol
LogP4.41
Rot. Bonds7

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

(3S)-1-(4-methoxyphenyl)-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 92703522) has the molecular formula C27H24N4O5 and a molecular weight of 484.51 g/mol. Its IUPAC name is (3S)-1-(4-methoxyphenyl)-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-methoxyphenyl)-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID92703522
Molecular FormulaC27H24N4O5
Molecular Weight484.51 g/mol
Exact Mass484.17
IUPAC Name(3S)-1-(4-methoxyphenyl)-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(-c2noc(-c3cccc(NC(=O)[C@H]4CC(=O)N(c5ccc(OC)cc5)C4)c3)n2)cc1
InChIInChI=1S/C27H24N4O5/c1-34-22-10-6-17(7-11-22)25-29-27(36-30-25)18-4-3-5-20(14-18)28-26(33)19-15-24(32)31(16-19)21-8-12-23(35-2)13-9-21/h3-14,19H,15-16H2,1-2H3,(H,28,33)/t19-/m0/s1
InChIKeyYJUOZGNFMLBMKU-IBGZPJMESA-N
XLogP4.41
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclohexyl-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 71689820
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46292736
(3S)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746342
(3S)-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51963605
(3R)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92703521
(3S)-5-oxo-1-phenyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide
CID 94081056
(3S)-5-oxo-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 92870351
3-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 95180907
N-(3-iodophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46569025
(3S)-N-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746374
(3S)-1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1101181
N-[3-(dimethylamino)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785662

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methoxyphenyl)-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-methoxyphenyl)-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 92703522) is (3S)-1-(4-methoxyphenyl)-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-methoxyphenyl)-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-methoxyphenyl)-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(-c2noc(-c3cccc(NC(=O)[C@H]4CC(=O)N(c5ccc(OC)cc5)C4)c3)n2)cc1.
What is the InChIKey of (3S)-1-(4-methoxyphenyl)-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YJUOZGNFMLBMKU-IBGZPJMESA-N. The full InChI is InChI=1S/C27H24N4O5/c1-34-22-10-6-17(7-11-22)25-29-27(36-30-25)18-4-3-5-20(14-18)28-26(33)19-15-24(32)31(16-19)21-8-12-23(35-2)13-9-21/h3-14,19H,15-16H2,1-2H3,(H,28,33)/t19-/m0/s1.
What are the key properties of (3S)-1-(4-methoxyphenyl)-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(4-methoxyphenyl)-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 484.51 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methoxyphenyl)-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92703522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).