1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide

C22H19ClFN3O3 — CID 51070682

IUPAC1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCCN1C(=O)c1cc(-c2ccccc2Cl)on1
InChIInChI=1S/C22H19ClFN3O3/c23-17-5-2-1-4-16(17)20-12-18(26-30-20)22(29)27-11-3-6-19(27)21(28)25-13-14-7-9-15(24)10-8-14/h1-2,4-5,7-10,12,19H,3,6,11,13H2,(H,25,28)
InChIKeyKVYPOICWQVAGMT-UHFFFAOYSA-N
MW427.86 g/mol
LogP4.06
Rot. Bonds5

About 1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide

1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 51070682) has the molecular formula C22H19ClFN3O3 and a molecular weight of 427.86 g/mol. Its IUPAC name is 1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID51070682
Molecular FormulaC22H19ClFN3O3
Molecular Weight427.86 g/mol
Exact Mass427.11
IUPAC Name1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCCN1C(=O)c1cc(-c2ccccc2Cl)on1
InChIInChI=1S/C22H19ClFN3O3/c23-17-5-2-1-4-16(17)20-12-18(26-30-20)22(29)27-11-3-6-19(27)21(28)25-13-14-7-9-15(24)10-8-14/h1-2,4-5,7-10,12,19H,3,6,11,13H2,(H,25,28)
InChIKeyKVYPOICWQVAGMT-UHFFFAOYSA-N
XLogP4.06
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.86
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 46757142
(2R)-N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-methylazepane-2-carboxamide
CID 97187936
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512
(2R)-N-benzyl-1-[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 51049744
[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92893519
2-N-[(4-fluorophenyl)methyl]-1-N,1-N-dimethylpyrrolidine-1,2-dicarboxamide
CID 159386470
(2R)-N-benzyl-1-[(2R)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 51049765
[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92893801
(2S)-N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 24517851
N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 46537587
(2R)-1-N-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468552
(2R)-N-benzyl-1-[(2R)-1-(2,4-difluorobenzoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 51049721

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide (CID 51070682) is 1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccc(F)cc1)C1CCCN1C(=O)c1cc(-c2ccccc2Cl)on1.
What is the InChIKey of 1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is KVYPOICWQVAGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O3/c23-17-5-2-1-4-16(17)20-12-18(26-30-20)22(29)27-11-3-6-19(27)21(28)25-13-14-7-9-15(24)10-8-14/h1-2,4-5,7-10,12,19H,3,6,11,13H2,(H,25,28).
What are the key properties of 1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide?
1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 427.86 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 51070682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).