2-(1,2-benzoxazol-3-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide

C18H18N2O3 — CID 78855126

IUPAC2-(1,2-benzoxazol-3-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cc1noc2ccccc12)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H18N2O3/c21-11-10-20(13-14-6-2-1-3-7-14)18(22)12-16-15-8-4-5-9-17(15)23-19-16/h1-9,21H,10-13H2
InChIKeyPQPZEPNCGLKQMW-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.39
Rot. Bonds6

About 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide (PubChem CID 78855126) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide
PubChem CID78855126
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cc1noc2ccccc12)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H18N2O3/c21-11-10-20(13-14-6-2-1-3-7-14)18(22)12-16-15-8-4-5-9-17(15)23-19-16/h1-9,21H,10-13H2
InChIKeyPQPZEPNCGLKQMW-UHFFFAOYSA-N
XLogP2.39
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide
CID 22519666
2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115772705
2-(1,2-benzoxazol-3-yl)-N,N-bis(2-methoxyethyl)acetamide
CID 86907964
2-[[2-(1,2-benzoxazol-3-yl)acetyl]-ethylamino]acetic acid
CID 54901072
2-(1,2-benzoxazol-3-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039197
2-(1,2-benzoxazol-3-yl)-N-butyl-N-(2-chloroethyl)acetamide
CID 63391205
2-(1,2-benzoxazol-3-yl)-N-[3-[benzyl(propan-2-yl)amino]propyl]acetamide
CID 22519768
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide
CID 47009947
N-benzyl-N-(2-hydroxyethyl)-2-pyridin-3-ylacetamide
CID 62689181
2-(1,2-benzoxazol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 113337577
N-benzyl-2-(2-fluorophenyl)-N-(2-hydroxyethyl)acetamide
CID 60654052

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide (CID 78855126) is 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide is O=C(Cc1noc2ccccc12)N(CCO)Cc1ccccc1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is PQPZEPNCGLKQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-11-10-20(13-14-6-2-1-3-7-14)18(22)12-16-15-8-4-5-9-17(15)23-19-16/h1-9,21H,10-13H2.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 78855126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).