N-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide

C15H11FN2O2 — CID 110728862

IUPACN-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc2ncoc2c1
InChIInChI=1S/C15H11FN2O2/c16-11-3-1-10(2-4-11)7-15(19)18-12-5-6-13-14(8-12)20-9-17-13/h1-6,8-9H,7H2,(H,18,19)
InChIKeyXCMGTCGGXBFSLN-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.15
Rot. Bonds3

About N-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide

N-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 110728862) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide
PubChem CID110728862
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC NameN-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc2ncoc2c1
InChIInChI=1S/C15H11FN2O2/c16-11-3-1-10(2-4-11)7-15(19)18-12-5-6-13-14(8-12)20-9-17-13/h1-6,8-9H,7H2,(H,18,19)
InChIKeyXCMGTCGGXBFSLN-UHFFFAOYSA-N
XLogP3.15
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzoxazol-6-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 110771869
N-(1,3-benzoxazol-6-yl)butanamide
CID 110728829
N-(1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 110728668
N-(2,3-dimethylquinoxalin-6-yl)-2-(4-fluorophenyl)acetamide
CID 110723812
1,3-benzoxazol-6-ylcarbamic acid
CID 115170663
methyl 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]benzoate
CID 110771867
3-amino-N-(1,3-benzoxazol-6-yl)-3-methylbutanamide
CID 115154852
methyl 4-(1,3-benzoxazol-6-ylamino)-4-oxobutanoate
CID 110728836
2-amino-4-(1,3-benzoxazol-6-ylamino)-4-oxobutanoic acid
CID 115180959
N-(1,3-benzoxazol-6-yl)-2-(2-methoxyphenoxy)acetamide
CID 110728880
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]-N-tert-butylpyridine-2-carboxamide
CID 139348119

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide (CID 110728862) is N-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1ccc2ncoc2c1.
What is the InChIKey of N-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is XCMGTCGGXBFSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-11-3-1-10(2-4-11)7-15(19)18-12-5-6-13-14(8-12)20-9-17-13/h1-6,8-9H,7H2,(H,18,19).
What are the key properties of N-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide?
N-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 270.26 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 110728862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).