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

C16H9ClF2N2O2 — CID 3232315

IUPAC5-(3-chlorophenyl)-N-(2,5-difluorophenyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1ncoc1-c1cccc(Cl)c1
InChIInChI=1S/C16H9ClF2N2O2/c17-10-3-1-2-9(6-10)15-14(20-8-23-15)16(22)21-13-7-11(18)4-5-12(13)19/h1-8H,(H,21,22)
InChIKeyQVHVRUVRNMAARN-UHFFFAOYSA-N
MW334.71 g/mol
LogP4.53
Rot. Bonds3

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

5-(3-chlorophenyl)-N-(2,5-difluorophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 3232315) has the molecular formula C16H9ClF2N2O2 and a molecular weight of 334.71 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-(2,5-difluorophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-(2,5-difluorophenyl)-1,3-oxazole-4-carboxamide
PubChem CID3232315
Molecular FormulaC16H9ClF2N2O2
Molecular Weight334.71 g/mol
Exact Mass334.03
IUPAC Name5-(3-chlorophenyl)-N-(2,5-difluorophenyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1ncoc1-c1cccc(Cl)c1
InChIInChI=1S/C16H9ClF2N2O2/c17-10-3-1-2-9(6-10)15-14(20-8-23-15)16(22)21-13-7-11(18)4-5-12(13)19/h1-8H,(H,21,22)
InChIKeyQVHVRUVRNMAARN-UHFFFAOYSA-N
XLogP4.53
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.71
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-chlorophenyl)-1,3-oxazol-4-yl]ethanone
CID 123160413
N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920230
N-(3-chloro-4-cyanophenyl)-5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 3232312
N-(3-chlorophenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963631
5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963803
5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963785
N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920191
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
N-(5-chloro-2-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide
CID 6489760
N-(2,5-difluorophenyl)-4-phenylbenzamide
CID 7958887
tert-butyl-[2-[[5-(3-chlorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamic acid
CID 70365322
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-(2,5-difluorophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-(2,5-difluorophenyl)-1,3-oxazole-4-carboxamide (CID 3232315) is 5-(3-chlorophenyl)-N-(2,5-difluorophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-(2,5-difluorophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-(2,5-difluorophenyl)-1,3-oxazole-4-carboxamide is O=C(Nc1cc(F)ccc1F)c1ncoc1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-N-(2,5-difluorophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is QVHVRUVRNMAARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N2O2/c17-10-3-1-2-9(6-10)15-14(20-8-23-15)16(22)21-13-7-11(18)4-5-12(13)19/h1-8H,(H,21,22).
What are the key properties of 5-(3-chlorophenyl)-N-(2,5-difluorophenyl)-1,3-oxazole-4-carboxamide?
5-(3-chlorophenyl)-N-(2,5-difluorophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 334.71 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-(2,5-difluorophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3232315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).