6-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one

C23H22N4O5 — CID 53139363

IUPAC6-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one
SMILESCOc1ccc(N2CC(c3nc(-c4ccc5c(c4)oc(=O)n5C(C)C)no3)CC2=O)cc1
InChIInChI=1S/C23H22N4O5/c1-13(2)27-18-9-4-14(10-19(18)31-23(27)29)21-24-22(32-25-21)15-11-20(28)26(12-15)16-5-7-17(30-3)8-6-16/h4-10,13,15H,11-12H2,1-3H3
InChIKeyAXWJOJCXQHFFEW-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.75
Rot. Bonds5

About 6-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one

6-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one (PubChem CID 53139363) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is 6-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one
PubChem CID53139363
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name6-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one
SMILESCOc1ccc(N2CC(c3nc(-c4ccc5c(c4)oc(=O)n5C(C)C)no3)CC2=O)cc1
InChIInChI=1S/C23H22N4O5/c1-13(2)27-18-9-4-14(10-19(18)31-23(27)29)21-24-22(32-25-21)15-11-20(28)26(12-15)16-5-7-17(30-3)8-6-16/h4-10,13,15H,11-12H2,1-3H3
InChIKeyAXWJOJCXQHFFEW-UHFFFAOYSA-N
XLogP3.75
TPSA103.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 16955961
1-(4-methoxyphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 16955954
7-[5-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-4-(2-methylpropyl)-1H-quinoxaline-2,3-dione
CID 95067758
1-(3,4-dimethoxyphenyl)-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 16955942
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 16955927
(4R)-1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 42586088
4-[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 46390867
(4S)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 41015081
(4R)-1-(4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 41015060
(4S)-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 41015909
(4S)-1-(4-methoxyphenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41015022
4-ethyl-6-[5-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1,4-benzoxazin-3-one
CID 95092146

Frequently Asked Questions

What is the IUPAC name of 6-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one (CID 53139363) is 6-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one is COc1ccc(N2CC(c3nc(-c4ccc5c(c4)oc(=O)n5C(C)C)no3)CC2=O)cc1.
What is the InChIKey of 6-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one?
The InChIKey is AXWJOJCXQHFFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-13(2)27-18-9-4-14(10-19(18)31-23(27)29)21-24-22(32-25-21)15-11-20(28)26(12-15)16-5-7-17(30-3)8-6-16/h4-10,13,15H,11-12H2,1-3H3.
What are the key properties of 6-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one?
6-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one has a molecular weight of 434.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one is sourced from PubChem (CID 53139363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).