4,4-dimethyl-2-(1-methylpyrrol-2-yl)-5H-1,3-oxazole

C10H14N2O — CID 6618920

IUPAC4,4-dimethyl-2-(1-methylpyrrol-2-yl)-5H-1,3-oxazole
SMILESCn1cccc1C1=NC(C)(C)CO1
InChIInChI=1S/C10H14N2O/c1-10(2)7-13-9(11-10)8-5-4-6-12(8)3/h4-6H,7H2,1-3H3
InChIKeyPPGXURQXOWOENP-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.58
Rot. Bonds1

About 4,4-dimethyl-2-(1-methylpyrrol-2-yl)-5H-1,3-oxazole

4,4-dimethyl-2-(1-methylpyrrol-2-yl)-5H-1,3-oxazole (PubChem CID 6618920) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 4,4-dimethyl-2-(1-methylpyrrol-2-yl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-(1-methylpyrrol-2-yl)-5H-1,3-oxazole
PubChem CID6618920
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name4,4-dimethyl-2-(1-methylpyrrol-2-yl)-5H-1,3-oxazole
SMILESCn1cccc1C1=NC(C)(C)CO1
InChIInChI=1S/C10H14N2O/c1-10(2)7-13-9(11-10)8-5-4-6-12(8)3/h4-6H,7H2,1-3H3
InChIKeyPPGXURQXOWOENP-UHFFFAOYSA-N
XLogP1.58
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-2-(1-methylpyrrol-2-yl)-5H-1,3-oxazole 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-2-(1-methylpyrrol-2-yl)-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-(1-methylpyrrol-2-yl)-5H-1,3-oxazole (CID 6618920) is 4,4-dimethyl-2-(1-methylpyrrol-2-yl)-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-(1-methylpyrrol-2-yl)-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-(1-methylpyrrol-2-yl)-5H-1,3-oxazole is Cn1cccc1C1=NC(C)(C)CO1.
What is the InChIKey of 4,4-dimethyl-2-(1-methylpyrrol-2-yl)-5H-1,3-oxazole?
The InChIKey is PPGXURQXOWOENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-10(2)7-13-9(11-10)8-5-4-6-12(8)3/h4-6H,7H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-(1-methylpyrrol-2-yl)-5H-1,3-oxazole?
4,4-dimethyl-2-(1-methylpyrrol-2-yl)-5H-1,3-oxazole has a molecular weight of 178.24 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(1-methylpyrrol-2-yl)-5H-1,3-oxazole is sourced from PubChem (CID 6618920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).