N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C14H20N2O2 — CID 1245261

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H20N2O2/c1-10-13(11(2)18-16-10)14(17)15-9-8-12-6-4-3-5-7-12/h6H,3-5,7-9H2,1-2H3,(H,15,17)
InChIKeyCDMDKICUIFSGRO-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.91
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 1245261) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID1245261
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H20N2O2/c1-10-13(11(2)18-16-10)14(17)15-9-8-12-6-4-3-5-7-12/h6H,3-5,7-9H2,1-2H3,(H,15,17)
InChIKeyCDMDKICUIFSGRO-UHFFFAOYSA-N
XLogP2.91
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 1245261) is N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is CDMDKICUIFSGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-13(11(2)18-16-10)14(17)15-9-8-12-6-4-3-5-7-12/h6H,3-5,7-9H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.91, 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]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1245261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).