N,4,5-trimethyl-N-propan-2-yl-1,2-oxazol-3-amine

C9H16N2O — CID 122645138

IUPACN,4,5-trimethyl-N-propan-2-yl-1,2-oxazol-3-amine
SMILESCc1onc(N(C)C(C)C)c1C
InChIInChI=1S/C9H16N2O/c1-6(2)11(5)9-7(3)8(4)12-10-9/h6H,1-5H3
InChIKeyOTMPBBTVGLZXET-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.14
Rot. Bonds2

About N,4,5-trimethyl-N-propan-2-yl-1,2-oxazol-3-amine

N,4,5-trimethyl-N-propan-2-yl-1,2-oxazol-3-amine (PubChem CID 122645138) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N,4,5-trimethyl-N-propan-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN,4,5-trimethyl-N-propan-2-yl-1,2-oxazol-3-amine
PubChem CID122645138
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN,4,5-trimethyl-N-propan-2-yl-1,2-oxazol-3-amine
SMILESCc1onc(N(C)C(C)C)c1C
InChIInChI=1S/C9H16N2O/c1-6(2)11(5)9-7(3)8(4)12-10-9/h6H,1-5H3
InChIKeyOTMPBBTVGLZXET-UHFFFAOYSA-N
XLogP2.14
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,4,5-trimethyl-N-propan-2-yl-1,2-oxazol-3-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,4,5-trimethyl-N-propan-2-yl-1,2-oxazol-3-amine?
The IUPAC name of N,4,5-trimethyl-N-propan-2-yl-1,2-oxazol-3-amine (CID 122645138) is N,4,5-trimethyl-N-propan-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for N,4,5-trimethyl-N-propan-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for N,4,5-trimethyl-N-propan-2-yl-1,2-oxazol-3-amine is Cc1onc(N(C)C(C)C)c1C.
What is the InChIKey of N,4,5-trimethyl-N-propan-2-yl-1,2-oxazol-3-amine?
The InChIKey is OTMPBBTVGLZXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6(2)11(5)9-7(3)8(4)12-10-9/h6H,1-5H3.
What are the key properties of N,4,5-trimethyl-N-propan-2-yl-1,2-oxazol-3-amine?
N,4,5-trimethyl-N-propan-2-yl-1,2-oxazol-3-amine has a molecular weight of 168.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5-trimethyl-N-propan-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 122645138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).