4,4-dimethyl-N-pyridin-3-yl-5H-1,3-oxazol-2-amine

C10H13N3O — CID 11480945

IUPAC4,4-dimethyl-N-pyridin-3-yl-5H-1,3-oxazol-2-amine
SMILESCC1(C)COC(Nc2cccnc2)=N1
InChIInChI=1S/C10H13N3O/c1-10(2)7-14-9(13-10)12-8-4-3-5-11-6-8/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyWYVUUQDWALENCO-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.66
Rot. Bonds1

About 4,4-dimethyl-N-pyridin-3-yl-5H-1,3-oxazol-2-amine

4,4-dimethyl-N-pyridin-3-yl-5H-1,3-oxazol-2-amine (PubChem CID 11480945) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4,4-dimethyl-N-pyridin-3-yl-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-pyridin-3-yl-5H-1,3-oxazol-2-amine
PubChem CID11480945
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4,4-dimethyl-N-pyridin-3-yl-5H-1,3-oxazol-2-amine
SMILESCC1(C)COC(Nc2cccnc2)=N1
InChIInChI=1S/C10H13N3O/c1-10(2)7-14-9(13-10)12-8-4-3-5-11-6-8/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyWYVUUQDWALENCO-UHFFFAOYSA-N
XLogP1.66
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4-dimethyl-N-pyridin-3-yl-5H-1,3-oxazol-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 4,4-dimethyl-N-pyridin-3-yl-5H-1,3-oxazol-2-amine?
The IUPAC name of 4,4-dimethyl-N-pyridin-3-yl-5H-1,3-oxazol-2-amine (CID 11480945) is 4,4-dimethyl-N-pyridin-3-yl-5H-1,3-oxazol-2-amine.
What is the SMILES notation for 4,4-dimethyl-N-pyridin-3-yl-5H-1,3-oxazol-2-amine?
The canonical SMILES for 4,4-dimethyl-N-pyridin-3-yl-5H-1,3-oxazol-2-amine is CC1(C)COC(Nc2cccnc2)=N1.
What is the InChIKey of 4,4-dimethyl-N-pyridin-3-yl-5H-1,3-oxazol-2-amine?
The InChIKey is WYVUUQDWALENCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-10(2)7-14-9(13-10)12-8-4-3-5-11-6-8/h3-6H,7H2,1-2H3,(H,12,13).
What are the key properties of 4,4-dimethyl-N-pyridin-3-yl-5H-1,3-oxazol-2-amine?
4,4-dimethyl-N-pyridin-3-yl-5H-1,3-oxazol-2-amine has a molecular weight of 191.23 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-pyridin-3-yl-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 11480945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).