5-chloro-3-(2,4-dimethylpentan-3-yl)-1,2-oxazole

C10H16ClNO — CID 130517374

IUPAC5-chloro-3-(2,4-dimethylpentan-3-yl)-1,2-oxazole
SMILESCC(C)C(c1cc(Cl)on1)C(C)C
InChIInChI=1S/C10H16ClNO/c1-6(2)10(7(3)4)8-5-9(11)13-12-8/h5-7,10H,1-4H3
InChIKeyYRIXREYIPNBSFI-UHFFFAOYSA-N
MW201.70 g/mol
LogP3.72
Rot. Bonds3

About 5-chloro-3-(2,4-dimethylpentan-3-yl)-1,2-oxazole

5-chloro-3-(2,4-dimethylpentan-3-yl)-1,2-oxazole (PubChem CID 130517374) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 5-chloro-3-(2,4-dimethylpentan-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-chloro-3-(2,4-dimethylpentan-3-yl)-1,2-oxazole
PubChem CID130517374
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name5-chloro-3-(2,4-dimethylpentan-3-yl)-1,2-oxazole
SMILESCC(C)C(c1cc(Cl)on1)C(C)C
InChIInChI=1S/C10H16ClNO/c1-6(2)10(7(3)4)8-5-9(11)13-12-8/h5-7,10H,1-4H3
InChIKeyYRIXREYIPNBSFI-UHFFFAOYSA-N
XLogP3.72
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-3-(2,4-dimethylpentan-3-yl)-1,2-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 5-chloro-3-(2,4-dimethylpentan-3-yl)-1,2-oxazole?
The IUPAC name of 5-chloro-3-(2,4-dimethylpentan-3-yl)-1,2-oxazole (CID 130517374) is 5-chloro-3-(2,4-dimethylpentan-3-yl)-1,2-oxazole.
What is the SMILES notation for 5-chloro-3-(2,4-dimethylpentan-3-yl)-1,2-oxazole?
The canonical SMILES for 5-chloro-3-(2,4-dimethylpentan-3-yl)-1,2-oxazole is CC(C)C(c1cc(Cl)on1)C(C)C.
What is the InChIKey of 5-chloro-3-(2,4-dimethylpentan-3-yl)-1,2-oxazole?
The InChIKey is YRIXREYIPNBSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO/c1-6(2)10(7(3)4)8-5-9(11)13-12-8/h5-7,10H,1-4H3.
What are the key properties of 5-chloro-3-(2,4-dimethylpentan-3-yl)-1,2-oxazole?
5-chloro-3-(2,4-dimethylpentan-3-yl)-1,2-oxazole has a molecular weight of 201.70 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2,4-dimethylpentan-3-yl)-1,2-oxazole is sourced from PubChem (CID 130517374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).