N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C16H18N2O3 — CID 24947641

IUPACN-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NC(CO)c1ccccc1)c1noc2c1CCCC2
InChIInChI=1S/C16H18N2O3/c19-10-13(11-6-2-1-3-7-11)17-16(20)15-12-8-4-5-9-14(12)21-18-15/h1-3,6-7,13,19H,4-5,8-10H2,(H,17,20)
InChIKeyNCENVWKSHSCXNL-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.02
Rot. Bonds4

About N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 24947641) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID24947641
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NC(CO)c1ccccc1)c1noc2c1CCCC2
InChIInChI=1S/C16H18N2O3/c19-10-13(11-6-2-1-3-7-11)17-16(20)15-12-8-4-5-9-14(12)21-18-15/h1-3,6-7,13,19H,4-5,8-10H2,(H,17,20)
InChIKeyNCENVWKSHSCXNL-UHFFFAOYSA-N
XLogP2.02
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-phenyl-2-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonylamino)acetic acid
CID 97310654
N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 59160033
methyl 3-(3-hydroxyphenyl)-3-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonylamino)propanoate
CID 24947457
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 91104300
ethyl (3R)-3-(4-fluorophenyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonylamino)propanoate
CID 124573025
N-butan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 5079297
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-(2-hydroxy-1-phenylethyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110001205
N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 95027054
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
(2S,3S)-3-methyl-2-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonylamino)pentanoic acid
CID 119194301

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 24947641) is N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(NC(CO)c1ccccc1)c1noc2c1CCCC2.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is NCENVWKSHSCXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-10-13(11-6-2-1-3-7-11)17-16(20)15-12-8-4-5-9-14(12)21-18-15/h1-3,6-7,13,19H,4-5,8-10H2,(H,17,20).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 24947641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).