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

C17H20N2O3 — CID 110900748

IUPACN-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(c1noc2c1CCCC2)N(CCO)Cc1ccccc1
InChIInChI=1S/C17H20N2O3/c20-11-10-19(12-13-6-2-1-3-7-13)17(21)16-14-8-4-5-9-15(14)22-18-16/h1-3,6-7,20H,4-5,8-12H2
InChIKeyXUAKINYKMKDRQS-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.19
Rot. Bonds5

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

N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 110900748) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID110900748
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(c1noc2c1CCCC2)N(CCO)Cc1ccccc1
InChIInChI=1S/C17H20N2O3/c20-11-10-19(12-13-6-2-1-3-7-13)17(21)16-14-8-4-5-9-15(14)22-18-16/h1-3,6-7,20H,4-5,8-12H2
InChIKeyXUAKINYKMKDRQS-UHFFFAOYSA-N
XLogP2.19
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 111122163
N-methyl-N-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 5079103
N-benzyl-N-ethyl-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 20923895
N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 20923882
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 78795967
3-amino-N-benzyl-N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 110886937
[3-[benzyl(methyl)amino]piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 45245379
2-amino-N-benzyl-N-(2-hydroxyethyl)quinazoline-4-carboxamide
CID 59483477
N'-benzyl-N'-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)oxamide
CID 108507589
1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea
CID 108912537
N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 24947641

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 110900748) is N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(c1noc2c1CCCC2)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is XUAKINYKMKDRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-11-10-19(12-13-6-2-1-3-7-13)17(21)16-14-8-4-5-9-15(14)22-18-16/h1-3,6-7,20H,4-5,8-12H2.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 110900748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).