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

C18H22N2O3 — CID 111122163

IUPACN-(2-hydroxyethyl)-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(c1noc2c1CCCC2)N(CCO)CCc1ccccc1
InChIInChI=1S/C18H22N2O3/c21-13-12-20(11-10-14-6-2-1-3-7-14)18(22)17-15-8-4-5-9-16(15)23-19-17/h1-3,6-7,21H,4-5,8-13H2
InChIKeyVUJHEWWXLGNKDQ-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.23
Rot. Bonds6

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

N-(2-hydroxyethyl)-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 111122163) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID111122163
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-(2-hydroxyethyl)-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(c1noc2c1CCCC2)N(CCO)CCc1ccccc1
InChIInChI=1S/C18H22N2O3/c21-13-12-20(11-10-14-6-2-1-3-7-14)18(22)17-15-8-4-5-9-16(15)23-19-17/h1-3,6-7,21H,4-5,8-13H2
InChIKeyVUJHEWWXLGNKDQ-UHFFFAOYSA-N
XLogP2.23
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 110900748
N-(2-hydroxyethyl)-2-methyl-N-(2-phenylethyl)benzamide
CID 111122128
N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 20923882
N-(2-hydroxyethyl)-N-(2-phenylethyl)-1H-indazole-3-carboxamide
CID 111122221
N-(2-hydroxyethyl)-N-(2-phenylethyl)thiophene-3-carboxamide
CID 111122178
N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 24947641
N-benzyl-N-ethyl-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 20923895
3-[propan-2-yl(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]propanoic acid
CID 119207578
4-cyclopentylsulfonyl-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 86943568
N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 96530829
N-(2-hydroxyethyl)-2,4-dimethyl-N-(2-phenylethyl)benzamide
CID 111122151
2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 111122067

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 111122163) is N-(2-hydroxyethyl)-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(c1noc2c1CCCC2)N(CCO)CCc1ccccc1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is VUJHEWWXLGNKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-13-12-20(11-10-14-6-2-1-3-7-14)18(22)17-15-8-4-5-9-16(15)23-19-17/h1-3,6-7,21H,4-5,8-13H2.
What are the key properties of N-(2-hydroxyethyl)-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-(2-hydroxyethyl)-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 111122163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).