5,5-diethyl-4H-1,3-oxazole

C7H13NO — CID 129030399

IUPAC5,5-diethyl-4H-1,3-oxazole
SMILESCCC1(CC)CN=CO1
InChIInChI=1S/C7H13NO/c1-3-7(4-2)5-8-6-9-7/h6H,3-5H2,1-2H3
InChIKeyKAQXFJDGVJKEBG-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.60
Rot. Bonds2

About 5,5-diethyl-4H-1,3-oxazole

5,5-diethyl-4H-1,3-oxazole (PubChem CID 129030399) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 5,5-diethyl-4H-1,3-oxazole.

Molecular Properties

Compound Name5,5-diethyl-4H-1,3-oxazole
PubChem CID129030399
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name5,5-diethyl-4H-1,3-oxazole
SMILESCCC1(CC)CN=CO1
InChIInChI=1S/C7H13NO/c1-3-7(4-2)5-8-6-9-7/h6H,3-5H2,1-2H3
InChIKeyKAQXFJDGVJKEBG-UHFFFAOYSA-N
XLogP1.60
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,5-diethyl-4H-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

Related Compounds

Oxazole, 4,5-dihydro-5,5-dimethyl-
CID 10975416
1,2-Dimethyl-4-oxa-6-azaspiro[2.4]hept-5-ene
CID 68101523
5-methyl-5-propan-2-yl-4H-1,3-oxazole
CID 68101719
5-ethyl-5-methyl-4H-1,3-oxazole
CID 126686768
5,5-di(propan-2-yl)-4H-1,3-oxazole
CID 141015384

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-4H-1,3-oxazole?
The IUPAC name of 5,5-diethyl-4H-1,3-oxazole (CID 129030399) is 5,5-diethyl-4H-1,3-oxazole.
What is the SMILES notation for 5,5-diethyl-4H-1,3-oxazole?
The canonical SMILES for 5,5-diethyl-4H-1,3-oxazole is CCC1(CC)CN=CO1.
What is the InChIKey of 5,5-diethyl-4H-1,3-oxazole?
The InChIKey is KAQXFJDGVJKEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-7(4-2)5-8-6-9-7/h6H,3-5H2,1-2H3.
What are the key properties of 5,5-diethyl-4H-1,3-oxazole?
5,5-diethyl-4H-1,3-oxazole has a molecular weight of 127.19 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-4H-1,3-oxazole is sourced from PubChem (CID 129030399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).