N-[[5-(4-tert-butylcyclohexyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine

C17H28N2O — CID 65184155

IUPACN-[[5-(4-tert-butylcyclohexyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
SMILESCC(C)(C)C1CCC(c2cnc(CNC3CC3)o2)CC1
InChIInChI=1S/C17H28N2O/c1-17(2,3)13-6-4-12(5-7-13)15-10-19-16(20-15)11-18-14-8-9-14/h10,12-14,18H,4-9,11H2,1-3H3
InChIKeyIULTUQDLXJPPOU-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.25
Rot. Bonds4

About N-[[5-(4-tert-butylcyclohexyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine

N-[[5-(4-tert-butylcyclohexyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine (PubChem CID 65184155) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[5-(4-tert-butylcyclohexyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(4-tert-butylcyclohexyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
PubChem CID65184155
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[5-(4-tert-butylcyclohexyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
SMILESCC(C)(C)C1CCC(c2cnc(CNC3CC3)o2)CC1
InChIInChI=1S/C17H28N2O/c1-17(2,3)13-6-4-12(5-7-13)15-10-19-16(20-15)11-18-14-8-9-14/h10,12-14,18H,4-9,11H2,1-3H3
InChIKeyIULTUQDLXJPPOU-UHFFFAOYSA-N
XLogP4.25
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-(4-tert-butylcyclohexyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine 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-[[5-(2-methylcyclopentyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 107185095
N-[[5-(3-methyloxan-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 114241788
2-[(cyclopentylamino)methyl]-1,3-oxazol-5-amine
CID 117187878
4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
CID 62845689
N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 103311183
4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
CID 103275539
N-[[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184115
N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65183913
N-[(5-cyclobutyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine
CID 65181714
4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine
CID 65089500
N-[(5-cyclooctyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine
CID 65181968
N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184308

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-tert-butylcyclohexyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(4-tert-butylcyclohexyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine (CID 65184155) is N-[[5-(4-tert-butylcyclohexyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(4-tert-butylcyclohexyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(4-tert-butylcyclohexyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine is CC(C)(C)C1CCC(c2cnc(CNC3CC3)o2)CC1.
What is the InChIKey of N-[[5-(4-tert-butylcyclohexyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The InChIKey is IULTUQDLXJPPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,3)13-6-4-12(5-7-13)15-10-19-16(20-15)11-18-14-8-9-14/h10,12-14,18H,4-9,11H2,1-3H3.
What are the key properties of N-[[5-(4-tert-butylcyclohexyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
N-[[5-(4-tert-butylcyclohexyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine has a molecular weight of 276.42 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-tert-butylcyclohexyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65184155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).