5-(3,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide

C20H17F2N3O2 — CID 110650762

IUPAC5-(3,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cnoc1-c1ccc(F)c(F)c1
InChIInChI=1S/C20H17F2N3O2/c21-17-8-3-13(11-18(17)22)19-16(12-23-27-19)20(26)24-14-4-6-15(7-5-14)25-9-1-2-10-25/h3-8,11-12H,1-2,9-10H2,(H,24,26)
InChIKeyTZCHYCKWMJGFCU-UHFFFAOYSA-N
MW369.37 g/mol
LogP4.47
Rot. Bonds4

About 5-(3,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide

5-(3,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 110650762) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID110650762
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name5-(3,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cnoc1-c1ccc(F)c(F)c1
InChIInChI=1S/C20H17F2N3O2/c21-17-8-3-13(11-18(17)22)19-16(12-23-27-19)20(26)24-14-4-6-15(7-5-14)25-9-1-2-10-25/h3-8,11-12H,1-2,9-10H2,(H,24,26)
InChIKeyTZCHYCKWMJGFCU-UHFFFAOYSA-N
XLogP4.47
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 110650836
[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone
CID 110647460
3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 66483334
N-(4-cyanophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110651346
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110410101
N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203985
4-cyano-2-fluoro-N-(4-piperidin-1-ylphenyl)benzamide
CID 675546
2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021055
2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 110862042
2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 26289649
N-(3-acetamidophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110650555
5-(3,4-difluorophenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 110647969

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(3,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide (CID 110650762) is 5-(3,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(3,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1cnoc1-c1ccc(F)c(F)c1.
What is the InChIKey of 5-(3,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is TZCHYCKWMJGFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c21-17-8-3-13(11-18(17)22)19-16(12-23-27-19)20(26)24-14-4-6-15(7-5-14)25-9-1-2-10-25/h3-8,11-12H,1-2,9-10H2,(H,24,26).
What are the key properties of 5-(3,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide?
5-(3,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 369.37 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110650762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).