2,4-dimethyl-4,5-dihydro-1,3-oxazole

C5H9NO — CID 535717

IUPAC2,4-dimethyl-4,5-dihydro-1,3-oxazole
SMILESCC1=NC(C)CO1
InChIInChI=1S/C5H9NO/c1-4-3-7-5(2)6-4/h4H,3H2,1-2H3
InChIKeyBEQDKWKSUMQVMX-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.82
Rot. Bonds

About 2,4-dimethyl-4,5-dihydro-1,3-oxazole

2,4-dimethyl-4,5-dihydro-1,3-oxazole (PubChem CID 535717) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2,4-dimethyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2,4-dimethyl-4,5-dihydro-1,3-oxazole
PubChem CID535717
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2,4-dimethyl-4,5-dihydro-1,3-oxazole
SMILESCC1=NC(C)CO1
InChIInChI=1S/C5H9NO/c1-4-3-7-5(2)6-4/h4H,3H2,1-2H3
InChIKeyBEQDKWKSUMQVMX-UHFFFAOYSA-N
XLogP0.82
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-4,5-dihydro-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 2,4-dimethyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2,4-dimethyl-4,5-dihydro-1,3-oxazole (CID 535717) is 2,4-dimethyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2,4-dimethyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2,4-dimethyl-4,5-dihydro-1,3-oxazole is CC1=NC(C)CO1.
What is the InChIKey of 2,4-dimethyl-4,5-dihydro-1,3-oxazole?
The InChIKey is BEQDKWKSUMQVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-4-3-7-5(2)6-4/h4H,3H2,1-2H3.
What are the key properties of 2,4-dimethyl-4,5-dihydro-1,3-oxazole?
2,4-dimethyl-4,5-dihydro-1,3-oxazole has a molecular weight of 99.13 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 535717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).