1-[[3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-yl]methyl]-2-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide

C23H23ClN4O4S — CID 90825183

IUPAC1-[[3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-yl]methyl]-2-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1(c2ccc(N3CCOCC3=O)cc2)CCCN1Cc1cc(-c2ccc(Cl)s2)no1
InChIInChI=1S/C23H23ClN4O4S/c24-20-7-6-19(33-20)18-12-17(32-26-18)13-27-9-1-8-23(27,22(25)30)15-2-4-16(5-3-15)28-10-11-31-14-21(28)29/h2-7,12H,1,8-11,13-14H2,(H2,25,30)
InChIKeyGZDCMTSNSVCTBC-UHFFFAOYSA-N
MW486.98 g/mol
LogP3.40
Rot. Bonds6

About 1-[[3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-yl]methyl]-2-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide

1-[[3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-yl]methyl]-2-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 90825183) has the molecular formula C23H23ClN4O4S and a molecular weight of 486.98 g/mol. Its IUPAC name is 1-[[3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-yl]methyl]-2-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-yl]methyl]-2-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID90825183
Molecular FormulaC23H23ClN4O4S
Molecular Weight486.98 g/mol
Exact Mass486.11
IUPAC Name1-[[3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-yl]methyl]-2-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1(c2ccc(N3CCOCC3=O)cc2)CCCN1Cc1cc(-c2ccc(Cl)s2)no1
InChIInChI=1S/C23H23ClN4O4S/c24-20-7-6-19(33-20)18-12-17(32-26-18)13-27-9-1-8-23(27,22(25)30)15-2-4-16(5-3-15)28-10-11-31-14-21(28)29/h2-7,12H,1,8-11,13-14H2,(H2,25,30)
InChIKeyGZDCMTSNSVCTBC-UHFFFAOYSA-N
XLogP3.40
TPSA101.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.98
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-yl]methyl]-2-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide 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

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 69452855
(7aS)-1,3-dioxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-7a-carboxamide
CID 18447875
4-(3-amino-4-chlorophenyl)morpholin-3-one
CID 82512872
5-chloro-3-[2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 90258799
3-N-(2-chlorophenyl)-1,1-dioxo-4-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide
CID 90928240
5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide
CID 165482135
5-chloro-3-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazol-5-yl]methyl]thiophene-2-carboxamide
CID 175885019
5-chloro-N-[(2R)-2-(cyclobutylmethylamino)-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 90719385
5-chloro-N-[3-hydroxy-4-[4-(3-oxomorpholin-4-yl)anilino]butyl]thiophene-2-carboxamide
CID 123589878
5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 25099710
4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805
5-chloro-N-[(2S)-2-[cyclobutyl(cyclobutylmethyl)amino]-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 140517778

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-yl]methyl]-2-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-yl]methyl]-2-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide (CID 90825183) is 1-[[3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-yl]methyl]-2-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-yl]methyl]-2-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-yl]methyl]-2-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide is NC(=O)C1(c2ccc(N3CCOCC3=O)cc2)CCCN1Cc1cc(-c2ccc(Cl)s2)no1.
What is the InChIKey of 1-[[3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-yl]methyl]-2-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is GZDCMTSNSVCTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4S/c24-20-7-6-19(33-20)18-12-17(32-26-18)13-27-9-1-8-23(27,22(25)30)15-2-4-16(5-3-15)28-10-11-31-14-21(28)29/h2-7,12H,1,8-11,13-14H2,(H2,25,30).
What are the key properties of 1-[[3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-yl]methyl]-2-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide?
1-[[3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-yl]methyl]-2-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 486.98 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-yl]methyl]-2-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 90825183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).