2-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide

C15H12N2O2 — CID 21413791

IUPAC2-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESNC(=O)Cc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C15H12N2O2/c16-14(18)9-10-5-7-11(8-6-10)15-17-12-3-1-2-4-13(12)19-15/h1-8H,9H2,(H2,16,18)
InChIKeyNOYRIHCKRFZVSR-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.52
Rot. Bonds3

About 2-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide

2-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide (PubChem CID 21413791) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
PubChem CID21413791
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESNC(=O)Cc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C15H12N2O2/c16-14(18)9-10-5-7-11(8-6-10)15-17-12-3-1-2-4-13(12)19-15/h1-8H,9H2,(H2,16,18)
InChIKeyNOYRIHCKRFZVSR-UHFFFAOYSA-N
XLogP2.52
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

carbonyl difluoride;2-phenyl-1,3-benzoxazole
CID 158063385
[4-(1,3-benzoxazol-2-yl)phenyl]methyl 2-(3,4-dihydroxyphenyl)acetate
CID 127045111
2-[4-[(4-fluorophenyl)methyl]phenyl]-1,3-benzoxazole
CID 171736377
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16838774
[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol
CID 58057288
acetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane
CID 175273673
3-(1,3-benzoxazol-2-yl)benzamide
CID 21105138
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide
CID 2994943
1-(1-benzofuran-2-yl)-2-[4-(1,3-benzoxazol-2-yl)anilino]ethanone
CID 110828616
2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3-benzoxazole
CID 91678637
N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide
CID 15999485

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide (CID 21413791) is 2-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide is NC(=O)Cc1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of 2-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide?
The InChIKey is NOYRIHCKRFZVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c16-14(18)9-10-5-7-11(8-6-10)15-17-12-3-1-2-4-13(12)19-15/h1-8H,9H2,(H2,16,18).
What are the key properties of 2-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide?
2-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide has a molecular weight of 252.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 21413791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).