2-(5-methyl-1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide

C15H18N2O3 — CID 108790401

IUPAC2-(5-methyl-1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc2onc(CC(=O)NCC3CCCO3)c2c1
InChIInChI=1S/C15H18N2O3/c1-10-4-5-14-12(7-10)13(17-20-14)8-15(18)16-9-11-3-2-6-19-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,16,18)
InChIKeyOTLOWPOKZAOVML-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.97
Rot. Bonds4

About 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(5-methyl-1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 108790401) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID108790401
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(5-methyl-1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc2onc(CC(=O)NCC3CCCO3)c2c1
InChIInChI=1S/C15H18N2O3/c1-10-4-5-14-12(7-10)13(17-20-14)8-15(18)16-9-11-3-2-6-19-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,16,18)
InChIKeyOTLOWPOKZAOVML-UHFFFAOYSA-N
XLogP1.97
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 56922703
3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 42107595
N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790457
2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 112991346
N-[(4-chlorophenyl)methyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519867
N'-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943614
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943682
N-[2-(2-hydroxyethoxy)ethyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790464
4-(2,5-dimethylphenyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 94102322
5-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 1093775
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525301

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 108790401) is 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide is Cc1ccc2onc(CC(=O)NCC3CCCO3)c2c1.
What is the InChIKey of 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is OTLOWPOKZAOVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-4-5-14-12(7-10)13(17-20-14)8-15(18)16-9-11-3-2-6-19-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,16,18).
What are the key properties of 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 108790401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).