N-(1,3-benzoxazol-2-yl)-2-(cyclohexen-1-yl)-N-methylacetamide

C16H18N2O2 — CID 122159375

IUPACN-(1,3-benzoxazol-2-yl)-2-(cyclohexen-1-yl)-N-methylacetamide
SMILESCN(C(=O)CC1=CCCCC1)c1nc2ccccc2o1
InChIInChI=1S/C16H18N2O2/c1-18(15(19)11-12-7-3-2-4-8-12)16-17-13-9-5-6-10-14(13)20-16/h5-7,9-10H,2-4,8,11H2,1H3
InChIKeyIELVEJXPZHLROC-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.68
Rot. Bonds3

About N-(1,3-benzoxazol-2-yl)-2-(cyclohexen-1-yl)-N-methylacetamide

N-(1,3-benzoxazol-2-yl)-2-(cyclohexen-1-yl)-N-methylacetamide (PubChem CID 122159375) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-yl)-2-(cyclohexen-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-yl)-2-(cyclohexen-1-yl)-N-methylacetamide
PubChem CID122159375
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(1,3-benzoxazol-2-yl)-2-(cyclohexen-1-yl)-N-methylacetamide
SMILESCN(C(=O)CC1=CCCCC1)c1nc2ccccc2o1
InChIInChI=1S/C16H18N2O2/c1-18(15(19)11-12-7-3-2-4-8-12)16-17-13-9-5-6-10-14(13)20-16/h5-7,9-10H,2-4,8,11H2,1H3
InChIKeyIELVEJXPZHLROC-UHFFFAOYSA-N
XLogP3.68
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(1,3-benzoxazol-2-yl)-2-(cyclohexen-1-yl)-N-methylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(1,3-benzoxazol-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 131910422
N-iodo-N-methyl-1,3-benzoxazol-2-amine
CID 142874451
N-(cyclohexen-1-yl)-N-methyl-2-phenylacetamide
CID 15816334
N'-(1,3-benzoxazol-2-yl)-N'-ethylpropane-1,3-diamine
CID 61034495
1-(cycloocten-1-yl)-3-methylbutan-2-one
CID 147027331
4-[2-[1,3-benzoxazol-2-yl(methyl)amino]propyl]phenol
CID 71853717
methyl 3-[1,3-benzoxazol-2-yl(ethyl)amino]propanoate
CID 62007408
3-(1,3-benzoxazol-2-ylamino)-N,N-dimethylpropanamide
CID 47281823
methyl 2-[[2-(cyclohexen-1-yl)acetyl]-propan-2-ylamino]acetate
CID 63565005
2-(cyclohexen-1-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 63564422
N-(1,3-benzoxazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 167774022
2-(cyclohexen-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide
CID 63564415

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-yl)-2-(cyclohexen-1-yl)-N-methylacetamide?
The IUPAC name of N-(1,3-benzoxazol-2-yl)-2-(cyclohexen-1-yl)-N-methylacetamide (CID 122159375) is N-(1,3-benzoxazol-2-yl)-2-(cyclohexen-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(1,3-benzoxazol-2-yl)-2-(cyclohexen-1-yl)-N-methylacetamide?
The canonical SMILES for N-(1,3-benzoxazol-2-yl)-2-(cyclohexen-1-yl)-N-methylacetamide is CN(C(=O)CC1=CCCCC1)c1nc2ccccc2o1.
What is the InChIKey of N-(1,3-benzoxazol-2-yl)-2-(cyclohexen-1-yl)-N-methylacetamide?
The InChIKey is IELVEJXPZHLROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18(15(19)11-12-7-3-2-4-8-12)16-17-13-9-5-6-10-14(13)20-16/h5-7,9-10H,2-4,8,11H2,1H3.
What are the key properties of N-(1,3-benzoxazol-2-yl)-2-(cyclohexen-1-yl)-N-methylacetamide?
N-(1,3-benzoxazol-2-yl)-2-(cyclohexen-1-yl)-N-methylacetamide has a molecular weight of 270.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-yl)-2-(cyclohexen-1-yl)-N-methylacetamide is sourced from PubChem (CID 122159375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).