1-[4-(1,3-benzoxazol-2-ylmethylamino)phenyl]ethanone

C16H14N2O2 — CID 25345215

IUPAC1-[4-(1,3-benzoxazol-2-ylmethylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NCc2nc3ccccc3o2)cc1
InChIInChI=1S/C16H14N2O2/c1-11(19)12-6-8-13(9-7-12)17-10-16-18-14-4-2-3-5-15(14)20-16/h2-9,17H,10H2,1H3
InChIKeyOYYUAQDKXAFJKA-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.64
Rot. Bonds4

About 1-[4-(1,3-benzoxazol-2-ylmethylamino)phenyl]ethanone

1-[4-(1,3-benzoxazol-2-ylmethylamino)phenyl]ethanone (PubChem CID 25345215) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[4-(1,3-benzoxazol-2-ylmethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1,3-benzoxazol-2-ylmethylamino)phenyl]ethanone
PubChem CID25345215
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1-[4-(1,3-benzoxazol-2-ylmethylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NCc2nc3ccccc3o2)cc1
InChIInChI=1S/C16H14N2O2/c1-11(19)12-6-8-13(9-7-12)17-10-16-18-14-4-2-3-5-15(14)20-16/h2-9,17H,10H2,1H3
InChIKeyOYYUAQDKXAFJKA-UHFFFAOYSA-N
XLogP3.64
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide
CID 110711685
N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide
CID 110711644
methyl N-(1,3-benzoxazol-2-ylmethyl)carbamodithioate
CID 71371041
1,3-benzoxazol-2-ylmethyl 4-[(2-amino-2-oxoethyl)amino]benzoate
CID 71938022
N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-4-ethylbenzamide
CID 54857948
4-[3-(1,3-benzoxazol-2-yl)propanoylamino]benzamide
CID 9404315
N-(1,3-benzoxazol-2-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 70717506
2-ethyl-1,3-benzoxazole
CID 23239
1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone
CID 82095831
2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone
CID 43118378
3-(1,3-benzoxazol-2-yl)propanoic acid
CID 2474218
sodium 2-(1,3-benzoxazol-2-yl)acetate
CID 75531246

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzoxazol-2-ylmethylamino)phenyl]ethanone?
The IUPAC name of 1-[4-(1,3-benzoxazol-2-ylmethylamino)phenyl]ethanone (CID 25345215) is 1-[4-(1,3-benzoxazol-2-ylmethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1,3-benzoxazol-2-ylmethylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-(1,3-benzoxazol-2-ylmethylamino)phenyl]ethanone is CC(=O)c1ccc(NCc2nc3ccccc3o2)cc1.
What is the InChIKey of 1-[4-(1,3-benzoxazol-2-ylmethylamino)phenyl]ethanone?
The InChIKey is OYYUAQDKXAFJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11(19)12-6-8-13(9-7-12)17-10-16-18-14-4-2-3-5-15(14)20-16/h2-9,17H,10H2,1H3.
What are the key properties of 1-[4-(1,3-benzoxazol-2-ylmethylamino)phenyl]ethanone?
1-[4-(1,3-benzoxazol-2-ylmethylamino)phenyl]ethanone has a molecular weight of 266.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzoxazol-2-ylmethylamino)phenyl]ethanone is sourced from PubChem (CID 25345215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).