[5-methyl-2-(2-methylpropyl)-1,3-oxazol-4-yl]methanamine

C9H16N2O — CID 82503114

IUPAC[5-methyl-2-(2-methylpropyl)-1,3-oxazol-4-yl]methanamine
SMILESCc1oc(CC(C)C)nc1CN
InChIInChI=1S/C9H16N2O/c1-6(2)4-9-11-8(5-10)7(3)12-9/h6H,4-5,10H2,1-3H3
InChIKeyKSCXRHYEWBEPDB-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.64
Rot. Bonds3

About [5-methyl-2-(2-methylpropyl)-1,3-oxazol-4-yl]methanamine

[5-methyl-2-(2-methylpropyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 82503114) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is [5-methyl-2-(2-methylpropyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-2-(2-methylpropyl)-1,3-oxazol-4-yl]methanamine
PubChem CID82503114
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name[5-methyl-2-(2-methylpropyl)-1,3-oxazol-4-yl]methanamine
SMILESCc1oc(CC(C)C)nc1CN
InChIInChI=1S/C9H16N2O/c1-6(2)4-9-11-8(5-10)7(3)12-9/h6H,4-5,10H2,1-3H3
InChIKeyKSCXRHYEWBEPDB-UHFFFAOYSA-N
XLogP1.64
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-methyl-2-(2-methylpropyl)-1,3-oxazol-4-yl]methanamine 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-ethyl-5-methyl-1,3-oxazol-4-yl)methanamine
CID 82502441
2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-oxazole
CID 105462160
5-(chloromethyl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole
CID 131081482
(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methanamine;dihydrochloride
CID 155822451
[5-(2-methylpropyl)-4-propan-2-yl-1,3-oxazol-2-yl]methanamine
CID 82399380
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 46344053
5-methyl-4-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid
CID 105440469
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)methanamine
CID 82507667
[5-methyl-4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine
CID 95466695
5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine
CID 84678071
(4,5-dimethylfuran-2-yl)methanamine;2-methylpropane
CID 142883277

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(2-methylpropyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [5-methyl-2-(2-methylpropyl)-1,3-oxazol-4-yl]methanamine (CID 82503114) is [5-methyl-2-(2-methylpropyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-methyl-2-(2-methylpropyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [5-methyl-2-(2-methylpropyl)-1,3-oxazol-4-yl]methanamine is Cc1oc(CC(C)C)nc1CN.
What is the InChIKey of [5-methyl-2-(2-methylpropyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is KSCXRHYEWBEPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6(2)4-9-11-8(5-10)7(3)12-9/h6H,4-5,10H2,1-3H3.
What are the key properties of [5-methyl-2-(2-methylpropyl)-1,3-oxazol-4-yl]methanamine?
[5-methyl-2-(2-methylpropyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 168.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(2-methylpropyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 82503114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).