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

C23H23ClN4O4S — CID 69452855

IUPAC1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2=O)cc1)C1CCCN1Cc1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C23H23ClN4O4S/c24-21-8-7-20(33-21)19-12-16(26-32-19)13-27-9-1-2-18(27)23(30)25-15-3-5-17(6-4-15)28-10-11-31-14-22(28)29/h3-8,12,18H,1-2,9-11,13-14H2,(H,25,30)
InChIKeyIWYHHZDCNUZIMF-UHFFFAOYSA-N
MW486.98 g/mol
LogP4.02
Rot. Bonds6

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

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 69452855) has the molecular formula C23H23ClN4O4S and a molecular weight of 486.98 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID69452855
Molecular FormulaC23H23ClN4O4S
Molecular Weight486.98 g/mol
Exact Mass486.11
IUPAC Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2=O)cc1)C1CCCN1Cc1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C23H23ClN4O4S/c24-21-8-7-20(33-21)19-12-16(26-32-19)13-27-9-1-2-18(27)23(30)25-15-3-5-17(6-4-15)28-10-11-31-14-22(28)29/h3-8,12,18H,1-2,9-11,13-14H2,(H,25,30)
InChIKeyIWYHHZDCNUZIMF-UHFFFAOYSA-N
XLogP4.02
TPSA87.91 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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-1-[2-[(5-chlorothiophen-2-yl)amino]-2-oxoethyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 11626795
(2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 69450357
(2R)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 11641599
1-[[3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-yl]methyl]-2-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 90825183
3-hydroxy-N-[4-(3-oxomorpholin-4-yl)phenyl]cyclopentane-1-carboxamide
CID 78036523
N-(4-tert-butylphenyl)-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindole-2-carboxamide
CID 67563074
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 11202026
4-[(5-chlorothiophene-2-carbonyl)amino]-5-oxo-5-[4-(3-oxomorpholin-4-yl)anilino]pentanoic acid
CID 68885043
5-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 110665423
(1R)-3-[(5-chlorothiophene-2-carbonyl)amino]-1-(cyanomethyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-1-ium-1-carboxamide
CID 91244712
5-chloro-N-[(2R)-2-(cyclobutylmethylamino)-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 90719385
2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
CID 168524282

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide (CID 69452855) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(N2CCOCC2=O)cc1)C1CCCN1Cc1cc(-c2ccc(Cl)s2)on1.
What is the InChIKey of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is IWYHHZDCNUZIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4S/c24-21-8-7-20(33-21)19-12-16(26-32-19)13-27-9-1-2-18(27)23(30)25-15-3-5-17(6-4-15)28-10-11-31-14-22(28)29/h3-8,12,18H,1-2,9-11,13-14H2,(H,25,30).
What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide?
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 486.98 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 69452855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).