4-chloro-5-(4-fluorophenyl)-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide

C15H14ClFN2O3 — CID 67121088

IUPAC4-chloro-5-(4-fluorophenyl)-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCOCC1)c1noc(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C15H14ClFN2O3/c16-12-13(15(20)18-11-5-7-21-8-6-11)19-22-14(12)9-1-3-10(17)4-2-9/h1-4,11H,5-8H2,(H,18,20)
InChIKeyWMOBBEAKRBZQLE-UHFFFAOYSA-N
MW324.74 g/mol
LogP3.04
Rot. Bonds3

About 4-chloro-5-(4-fluorophenyl)-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide

4-chloro-5-(4-fluorophenyl)-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide (PubChem CID 67121088) has the molecular formula C15H14ClFN2O3 and a molecular weight of 324.74 g/mol. Its IUPAC name is 4-chloro-5-(4-fluorophenyl)-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-(4-fluorophenyl)-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide
PubChem CID67121088
Molecular FormulaC15H14ClFN2O3
Molecular Weight324.74 g/mol
Exact Mass324.07
IUPAC Name4-chloro-5-(4-fluorophenyl)-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCOCC1)c1noc(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C15H14ClFN2O3/c16-12-13(15(20)18-11-5-7-21-8-6-11)19-22-14(12)9-1-3-10(17)4-2-9/h1-4,11H,5-8H2,(H,18,20)
InChIKeyWMOBBEAKRBZQLE-UHFFFAOYSA-N
XLogP3.04
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 73440583
4-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 25182039
4-chloro-3-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide
CID 100628497
5-(4-chlorophenyl)-N-cyclopentyl-4-cyclopropyl-1,2-oxazole-3-carboxamide
CID 67121170
N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110647434
[(1S,3R)-3-[[4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbonyl]amino]cyclopentyl] 2-aminoacetate
CID 67121063
4-chloro-5-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-1,2-oxazole-3-carboxamide
CID 25181774
6-(4-fluorophenyl)-3-methyl-N-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 96529786
N-cyclopentyl-4-formyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 86663337
2-chloro-6-fluoro-N-(oxan-4-yl)benzamide
CID 110726834
N-(4-hydroxycyclohexyl)-4-[(oxan-4-ylmethylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 87153011
2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 63099712

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-fluorophenyl)-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-chloro-5-(4-fluorophenyl)-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide (CID 67121088) is 4-chloro-5-(4-fluorophenyl)-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-chloro-5-(4-fluorophenyl)-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-chloro-5-(4-fluorophenyl)-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide is O=C(NC1CCOCC1)c1noc(-c2ccc(F)cc2)c1Cl.
What is the InChIKey of 4-chloro-5-(4-fluorophenyl)-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is WMOBBEAKRBZQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3/c16-12-13(15(20)18-11-5-7-21-8-6-11)19-22-14(12)9-1-3-10(17)4-2-9/h1-4,11H,5-8H2,(H,18,20).
What are the key properties of 4-chloro-5-(4-fluorophenyl)-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide?
4-chloro-5-(4-fluorophenyl)-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 324.74 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-fluorophenyl)-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 67121088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).