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

C21H18ClN3O3 — CID 3232316

IUPAC5-(3-chlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCC1)c1ncoc1-c1cccc(Cl)c1
InChIInChI=1S/C21H18ClN3O3/c22-15-7-5-6-14(12-15)19-18(23-13-28-19)20(26)24-17-9-2-1-8-16(17)21(27)25-10-3-4-11-25/h1-2,5-9,12-13H,3-4,10-11H2,(H,24,26)
InChIKeyRYPBPWWDCBPGPG-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.48
Rot. Bonds4

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

5-(3-chlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 3232316) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID3232316
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name5-(3-chlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCC1)c1ncoc1-c1cccc(Cl)c1
InChIInChI=1S/C21H18ClN3O3/c22-15-7-5-6-14(12-15)19-18(23-13-28-19)20(26)24-17-9-2-1-8-16(17)21(27)25-10-3-4-11-25/h1-2,5-9,12-13H,3-4,10-11H2,(H,24,26)
InChIKeyRYPBPWWDCBPGPG-UHFFFAOYSA-N
XLogP4.48
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide (CID 3232316) is 5-(3-chlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide is O=C(Nc1ccccc1C(=O)N1CCCC1)c1ncoc1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is RYPBPWWDCBPGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c22-15-7-5-6-14(12-15)19-18(23-13-28-19)20(26)24-17-9-2-1-8-16(17)21(27)25-10-3-4-11-25/h1-2,5-9,12-13H,3-4,10-11H2,(H,24,26).
What are the key properties of 5-(3-chlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
5-(3-chlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3232316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).