2-(1,3-benzoxazol-2-ylamino)-2-(4-fluorophenyl)acetamide

C15H12FN3O2 — CID 133476335

IUPAC2-(1,3-benzoxazol-2-ylamino)-2-(4-fluorophenyl)acetamide
SMILESNC(=O)C(Nc1nc2ccccc2o1)c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O2/c16-10-7-5-9(6-8-10)13(14(17)20)19-15-18-11-3-1-2-4-12(11)21-15/h1-8,13H,(H2,17,20)(H,18,19)
InChIKeySUJIQNPANDHURZ-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.61
Rot. Bonds4

About 2-(1,3-benzoxazol-2-ylamino)-2-(4-fluorophenyl)acetamide

2-(1,3-benzoxazol-2-ylamino)-2-(4-fluorophenyl)acetamide (PubChem CID 133476335) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylamino)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylamino)-2-(4-fluorophenyl)acetamide
PubChem CID133476335
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name2-(1,3-benzoxazol-2-ylamino)-2-(4-fluorophenyl)acetamide
SMILESNC(=O)C(Nc1nc2ccccc2o1)c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O2/c16-10-7-5-9(6-8-10)13(14(17)20)19-15-18-11-3-1-2-4-12(11)21-15/h1-8,13H,(H2,17,20)(H,18,19)
InChIKeySUJIQNPANDHURZ-UHFFFAOYSA-N
XLogP2.61
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-2-ylamino)-2-phenylacetic acid
CID 62111311
(2S)-2-(1,3-benzoxazol-2-ylamino)-N,2-diphenylacetamide
CID 94546889
2-(4-fluorophenyl)-2-[(4-phenylquinazolin-2-yl)amino]acetamide
CID 133476242
2-(2-fluoroanilino)-2-(4-fluorophenyl)acetamide
CID 60710855
N-benzhydryl-1,3-benzoxazol-2-amine
CID 24632077
2-[(2-benzylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide
CID 133476327
(2R)-2-(1,3-benzoxazol-2-ylamino)butanedioic acid
CID 167988946
2-(4-fluorophenyl)-2-(2-methoxyanilino)acetamide
CID 60710758
N-(1-phenylethyl)-1,3-benzoxazol-2-amine
CID 47146208
(2R)-2-(4-fluorophenyl)-2-(4-methylanilino)acetamide
CID 93381369
2-[(6,7-dichloroquinoxalin-2-yl)amino]-2-(4-fluorophenyl)acetamide
CID 133476267
N-[amino(phenyl)methylidene]-2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-2-phenylacetamide
CID 145056361

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-2-(4-fluorophenyl)acetamide (CID 133476335) is 2-(1,3-benzoxazol-2-ylamino)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylamino)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylamino)-2-(4-fluorophenyl)acetamide is NC(=O)C(Nc1nc2ccccc2o1)c1ccc(F)cc1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylamino)-2-(4-fluorophenyl)acetamide?
The InChIKey is SUJIQNPANDHURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-10-7-5-9(6-8-10)13(14(17)20)19-15-18-11-3-1-2-4-12(11)21-15/h1-8,13H,(H2,17,20)(H,18,19).
What are the key properties of 2-(1,3-benzoxazol-2-ylamino)-2-(4-fluorophenyl)acetamide?
2-(1,3-benzoxazol-2-ylamino)-2-(4-fluorophenyl)acetamide has a molecular weight of 285.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylamino)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 133476335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).