N-[[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine

C12H20N2O — CID 65183874

IUPACN-[[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ncc(CC2CC2)o1
InChIInChI=1S/C12H20N2O/c1-12(2,3)14-8-11-13-7-10(15-11)6-9-4-5-9/h7,9,14H,4-6,8H2,1-3H3
InChIKeyLYBOXJXBOCQWFP-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.52
Rot. Bonds4

About N-[[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 65183874) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-[[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID65183874
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-[[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ncc(CC2CC2)o1
InChIInChI=1S/C12H20N2O/c1-12(2,3)14-8-11-13-7-10(15-11)6-9-4-5-9/h7,9,14H,4-6,8H2,1-3H3
InChIKeyLYBOXJXBOCQWFP-UHFFFAOYSA-N
XLogP2.52
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine (CID 65183874) is N-[[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ncc(CC2CC2)o1.
What is the InChIKey of N-[[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is LYBOXJXBOCQWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2,3)14-8-11-13-7-10(15-11)6-9-4-5-9/h7,9,14H,4-6,8H2,1-3H3.
What are the key properties of N-[[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 208.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65183874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).