N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide

C17H20N2O2 — CID 110387902

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCCC3=CCCCC3)ccc2o1
InChIInChI=1S/C17H20N2O2/c1-12-19-15-11-14(7-8-16(15)21-12)17(20)18-10-9-13-5-3-2-4-6-13/h5,7-8,11H,2-4,6,9-10H2,1H3,(H,18,20)
InChIKeyZQQWEIJCRNVCMV-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.76
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide (PubChem CID 110387902) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide
PubChem CID110387902
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCCC3=CCCCC3)ccc2o1
InChIInChI=1S/C17H20N2O2/c1-12-19-15-11-14(7-8-16(15)21-12)17(20)18-10-9-13-5-3-2-4-6-13/h5,7-8,11H,2-4,6,9-10H2,1H3,(H,18,20)
InChIKeyZQQWEIJCRNVCMV-UHFFFAOYSA-N
XLogP3.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766470
N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295859
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110387937
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109052412
4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 47213059
2-(1,3-benzoxazol-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 131910422
N-[2-(cyclohexen-1-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 27666383
5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 18286511
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(2,6-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109103351

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide (CID 110387902) is N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide is Cc1nc2cc(C(=O)NCCC3=CCCCC3)ccc2o1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide?
The InChIKey is ZQQWEIJCRNVCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-19-15-11-14(7-8-16(15)21-12)17(20)18-10-9-13-5-3-2-4-6-13/h5,7-8,11H,2-4,6,9-10H2,1H3,(H,18,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 110387902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).