N-(3-methyl-7-prop-1-enyl-1,2-benzoxazol-6-yl)acetamide

C13H14N2O2 — CID 68922083

IUPACN-(3-methyl-7-prop-1-enyl-1,2-benzoxazol-6-yl)acetamide
SMILESCC=Cc1c(NC(C)=O)ccc2c(C)noc12
InChIInChI=1S/C13H14N2O2/c1-4-5-11-12(14-9(3)16)7-6-10-8(2)15-17-13(10)11/h4-7H,1-3H3,(H,14,16)
InChIKeyBUOBCSWBOYJXDF-UHFFFAOYSA-N
MW230.27 g/mol
LogP3.13
Rot. Bonds2

About N-(3-methyl-7-prop-1-enyl-1,2-benzoxazol-6-yl)acetamide

N-(3-methyl-7-prop-1-enyl-1,2-benzoxazol-6-yl)acetamide (PubChem CID 68922083) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(3-methyl-7-prop-1-enyl-1,2-benzoxazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-methyl-7-prop-1-enyl-1,2-benzoxazol-6-yl)acetamide
PubChem CID68922083
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-(3-methyl-7-prop-1-enyl-1,2-benzoxazol-6-yl)acetamide
SMILESCC=Cc1c(NC(C)=O)ccc2c(C)noc12
InChIInChI=1S/C13H14N2O2/c1-4-5-11-12(14-9(3)16)7-6-10-8(2)15-17-13(10)11/h4-7H,1-3H3,(H,14,16)
InChIKeyBUOBCSWBOYJXDF-UHFFFAOYSA-N
XLogP3.13
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methyl-7-prop-1-enyl-1,2-benzoxazol-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-7-prop-1-enyl-1,2-benzoxazol-6-yl)acetamide?
The IUPAC name of N-(3-methyl-7-prop-1-enyl-1,2-benzoxazol-6-yl)acetamide (CID 68922083) is N-(3-methyl-7-prop-1-enyl-1,2-benzoxazol-6-yl)acetamide.
What is the SMILES notation for N-(3-methyl-7-prop-1-enyl-1,2-benzoxazol-6-yl)acetamide?
The canonical SMILES for N-(3-methyl-7-prop-1-enyl-1,2-benzoxazol-6-yl)acetamide is CC=Cc1c(NC(C)=O)ccc2c(C)noc12.
What is the InChIKey of N-(3-methyl-7-prop-1-enyl-1,2-benzoxazol-6-yl)acetamide?
The InChIKey is BUOBCSWBOYJXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-4-5-11-12(14-9(3)16)7-6-10-8(2)15-17-13(10)11/h4-7H,1-3H3,(H,14,16).
What are the key properties of N-(3-methyl-7-prop-1-enyl-1,2-benzoxazol-6-yl)acetamide?
N-(3-methyl-7-prop-1-enyl-1,2-benzoxazol-6-yl)acetamide has a molecular weight of 230.27 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-7-prop-1-enyl-1,2-benzoxazol-6-yl)acetamide is sourced from PubChem (CID 68922083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).