N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-methylcyclohexan-1-amine

C13H22N2O — CID 115654524

IUPACN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-methylcyclohexan-1-amine
SMILESCCc1cc(CNC2CCC(C)CC2)on1
InChIInChI=1S/C13H22N2O/c1-3-11-8-13(16-15-11)9-14-12-6-4-10(2)5-7-12/h8,10,12,14H,3-7,9H2,1-2H3
InChIKeyRSSQGSKOPGXSCE-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.91
Rot. Bonds4

About N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-methylcyclohexan-1-amine

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 115654524) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-methylcyclohexan-1-amine
PubChem CID115654524
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-methylcyclohexan-1-amine
SMILESCCc1cc(CNC2CCC(C)CC2)on1
InChIInChI=1S/C13H22N2O/c1-3-11-8-13(16-15-11)9-14-12-6-4-10(2)5-7-12/h8,10,12,14H,3-7,9H2,1-2H3
InChIKeyRSSQGSKOPGXSCE-UHFFFAOYSA-N
XLogP2.91
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-methylcyclohexan-1-amine 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

N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine
CID 60712181
N-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62439222
1,1-dicyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine
CID 115723277
N-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62418473
1-cyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 115677284
N-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62457342
N-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55074758
N-[4-[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]butyl]cyclopropanamine
CID 66322123
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 115656582
N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55070405
N-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 60790274
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]cyclohexanamine
CID 126837976

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-methylcyclohexan-1-amine (CID 115654524) is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-methylcyclohexan-1-amine is CCc1cc(CNC2CCC(C)CC2)on1.
What is the InChIKey of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is RSSQGSKOPGXSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-11-8-13(16-15-11)9-14-12-6-4-10(2)5-7-12/h8,10,12,14H,3-7,9H2,1-2H3.
What are the key properties of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-methylcyclohexan-1-amine?
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 222.33 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-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 115654524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).