(2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide

C24H24ClN5O4 — CID 69450357

IUPAC(2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2=O)cc1)[C@H]1CCCN1Cc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C24H24ClN5O4/c25-17-5-3-16(4-6-17)23-27-21(34-28-23)14-29-11-1-2-20(29)24(32)26-18-7-9-19(10-8-18)30-12-13-33-15-22(30)31/h3-10,20H,1-2,11-15H2,(H,26,32)/t20-/m1/s1
InChIKeyLLOTWRWZBXHVBB-HXUWFJFHSA-N
MW481.94 g/mol
LogP3.36
Rot. Bonds6

About (2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide

(2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 69450357) has the molecular formula C24H24ClN5O4 and a molecular weight of 481.94 g/mol. Its IUPAC name is (2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID69450357
Molecular FormulaC24H24ClN5O4
Molecular Weight481.94 g/mol
Exact Mass481.15
IUPAC Name(2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2=O)cc1)[C@H]1CCCN1Cc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C24H24ClN5O4/c25-17-5-3-16(4-6-17)23-27-21(34-28-23)14-29-11-1-2-20(29)24(32)26-18-7-9-19(10-8-18)30-12-13-33-15-22(30)31/h3-10,20H,1-2,11-15H2,(H,26,32)/t20-/m1/s1
InChIKeyLLOTWRWZBXHVBB-HXUWFJFHSA-N
XLogP3.36
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.94
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 43933525
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 69452855
(2R)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 11641599
(2R)-1-[2-[(5-chlorothiophen-2-yl)amino]-2-oxoethyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 11626795
N-(3,5-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 42957925
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide
CID 43933308
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-3-carboxamide
CID 43933224
N-(4-bromophenyl)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38157029
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 43932254
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 43933379
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide
CID 42891680
N-(3,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide
CID 43063792

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide (CID 69450357) is (2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(N2CCOCC2=O)cc1)[C@H]1CCCN1Cc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of (2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is LLOTWRWZBXHVBB-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H24ClN5O4/c25-17-5-3-16(4-6-17)23-27-21(34-28-23)14-29-11-1-2-20(29)24(32)26-18-7-9-19(10-8-18)30-12-13-33-15-22(30)31/h3-10,20H,1-2,11-15H2,(H,26,32)/t20-/m1/s1.
What are the key properties of (2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide?
(2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 481.94 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 69450357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).