ethane;5-methyl-4,5-dihydro-1,3-oxazole

C6H13NO — CID 142964043

IUPACethane;5-methyl-4,5-dihydro-1,3-oxazole
SMILESCC.CC1CN=CO1
InChIInChI=1S/C4H7NO.C2H6/c1-4-2-5-3-6-4;1-2/h3-4H,2H2,1H3;1-2H3
InChIKeyFLILCZYNCHWMJQ-UHFFFAOYSA-N
MW115.18 g/mol
LogP1.46
Rot. Bonds

About ethane;5-methyl-4,5-dihydro-1,3-oxazole

ethane;5-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 142964043) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is ethane;5-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Nameethane;5-methyl-4,5-dihydro-1,3-oxazole
PubChem CID142964043
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Nameethane;5-methyl-4,5-dihydro-1,3-oxazole
SMILESCC.CC1CN=CO1
InChIInChI=1S/C4H7NO.C2H6/c1-4-2-5-3-6-4;1-2/h3-4H,2H2,1H3;1-2H3
InChIKeyFLILCZYNCHWMJQ-UHFFFAOYSA-N
XLogP1.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;5-methyl-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 ethane;5-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of ethane;5-methyl-4,5-dihydro-1,3-oxazole (CID 142964043) is ethane;5-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for ethane;5-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for ethane;5-methyl-4,5-dihydro-1,3-oxazole is CC.CC1CN=CO1.
What is the InChIKey of ethane;5-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is FLILCZYNCHWMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C2H6/c1-4-2-5-3-6-4;1-2/h3-4H,2H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-4,5-dihydro-1,3-oxazole?
ethane;5-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 115.18 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 142964043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).