N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide

C14H8ClFN2O2 — CID 110388195

IUPACN-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc2ocnc2c1
InChIInChI=1S/C14H8ClFN2O2/c15-10-6-9(2-3-11(10)16)18-14(19)8-1-4-13-12(5-8)17-7-20-13/h1-7H,(H,18,19)
InChIKeyDLTLBZUKYNVZOX-UHFFFAOYSA-N
MW290.68 g/mol
LogP3.87
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide

N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 110388195) has the molecular formula C14H8ClFN2O2 and a molecular weight of 290.68 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
PubChem CID110388195
Molecular FormulaC14H8ClFN2O2
Molecular Weight290.68 g/mol
Exact Mass290.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc2ocnc2c1
InChIInChI=1S/C14H8ClFN2O2/c15-10-6-9(2-3-11(10)16)18-14(19)8-1-4-13-12(5-8)17-7-20-13/h1-7H,(H,18,19)
InChIKeyDLTLBZUKYNVZOX-UHFFFAOYSA-N
XLogP3.87
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate
CID 23887988
N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 110765115
N-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide
CID 110388239
N-(4-sulfamoylphenyl)-1,3-benzoxazole-5-carboxamide
CID 108795105
N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide
CID 108795166
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
N-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide
CID 110859301
N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
CID 2083480
2-chloro-N-(3-chloro-4-fluorophenyl)quinoline-6-carboxamide
CID 55731814
4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide
CID 167246589
N-(3-methoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388202
1-N-(3-chloro-4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050037

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide (CID 110388195) is N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccc2ocnc2c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is DLTLBZUKYNVZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O2/c15-10-6-9(2-3-11(10)16)18-14(19)8-1-4-13-12(5-8)17-7-20-13/h1-7H,(H,18,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide?
N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 290.68 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 110388195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).