1-(2-amino-4-phenylmethoxy-1,3-benzoxazol-7-yl)ethanone;hydrochloride

C16H15ClN2O3 — CID 91659246

IUPAC1-(2-amino-4-phenylmethoxy-1,3-benzoxazol-7-yl)ethanone;hydrochloride
SMILESCC(=O)c1ccc(OCc2ccccc2)c2nc(N)oc12.Cl
InChIInChI=1S/C16H14N2O3.ClH/c1-10(19)12-7-8-13(14-15(12)21-16(17)18-14)20-9-11-5-3-2-4-6-11;/h2-8H,9H2,1H3,(H2,17,18);1H
InChIKeySCYLYHHKWGMLNP-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.61
Rot. Bonds4

About 1-(2-amino-4-phenylmethoxy-1,3-benzoxazol-7-yl)ethanone;hydrochloride

1-(2-amino-4-phenylmethoxy-1,3-benzoxazol-7-yl)ethanone;hydrochloride (PubChem CID 91659246) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 1-(2-amino-4-phenylmethoxy-1,3-benzoxazol-7-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2-amino-4-phenylmethoxy-1,3-benzoxazol-7-yl)ethanone;hydrochloride
PubChem CID91659246
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name1-(2-amino-4-phenylmethoxy-1,3-benzoxazol-7-yl)ethanone;hydrochloride
SMILESCC(=O)c1ccc(OCc2ccccc2)c2nc(N)oc12.Cl
InChIInChI=1S/C16H14N2O3.ClH/c1-10(19)12-7-8-13(14-15(12)21-16(17)18-14)20-9-11-5-3-2-4-6-11;/h2-8H,9H2,1H3,(H2,17,18);1H
InChIKeySCYLYHHKWGMLNP-UHFFFAOYSA-N
XLogP3.61
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-acetyl-2-methyl-3-phenylmethoxybenzoate
CID 91864126
ethyl 3-acetyl-2-bromo-6-phenylmethoxybenzoate
CID 91863483
ethyl 6-acetyl-2-fluoro-3-phenylmethoxybenzoate
CID 91864113
6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid
CID 91863726
1-(2-bromo-3-iodo-4-phenylmethoxyphenyl)ethanone
CID 91863476
methyl 6-acetyl-2-methoxy-3-phenylmethoxybenzoate
CID 91864043
6-acetyl-2-chloro-3-phenylmethoxybenzonitrile
CID 91863645
1-(4-ethyl-2-phenylmethoxyphenyl)ethanone
CID 122531292
1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone
CID 147786681
2-(3-acetyl-2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 91864276
2-(6-acetyl-2-methyl-3-phenylmethoxyphenyl)acetic acid
CID 91863973
5-acetyl-8-phenylmethoxy-3H-quinolin-2-one
CID 71776173

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-phenylmethoxy-1,3-benzoxazol-7-yl)ethanone;hydrochloride?
The IUPAC name of 1-(2-amino-4-phenylmethoxy-1,3-benzoxazol-7-yl)ethanone;hydrochloride (CID 91659246) is 1-(2-amino-4-phenylmethoxy-1,3-benzoxazol-7-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(2-amino-4-phenylmethoxy-1,3-benzoxazol-7-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(2-amino-4-phenylmethoxy-1,3-benzoxazol-7-yl)ethanone;hydrochloride is CC(=O)c1ccc(OCc2ccccc2)c2nc(N)oc12.Cl.
What is the InChIKey of 1-(2-amino-4-phenylmethoxy-1,3-benzoxazol-7-yl)ethanone;hydrochloride?
The InChIKey is SCYLYHHKWGMLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3.ClH/c1-10(19)12-7-8-13(14-15(12)21-16(17)18-14)20-9-11-5-3-2-4-6-11;/h2-8H,9H2,1H3,(H2,17,18);1H.
What are the key properties of 1-(2-amino-4-phenylmethoxy-1,3-benzoxazol-7-yl)ethanone;hydrochloride?
1-(2-amino-4-phenylmethoxy-1,3-benzoxazol-7-yl)ethanone;hydrochloride has a molecular weight of 318.76 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-phenylmethoxy-1,3-benzoxazol-7-yl)ethanone;hydrochloride is sourced from PubChem (CID 91659246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).