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

C5H6ClNO — CID 12746085

IUPAC3-chloro-4,5-dimethyl-1,2-oxazole
SMILESCc1onc(Cl)c1C
InChIInChI=1S/C5H6ClNO/c1-3-4(2)8-7-5(3)6/h1-2H3
InChIKeyLZPSBSOLLSDEIY-UHFFFAOYSA-N
MW131.56 g/mol
LogP1.94
Rot. Bonds

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

3-chloro-4,5-dimethyl-1,2-oxazole (PubChem CID 12746085) has the molecular formula C5H6ClNO and a molecular weight of 131.56 g/mol. Its IUPAC name is 3-chloro-4,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name3-chloro-4,5-dimethyl-1,2-oxazole
PubChem CID12746085
Molecular FormulaC5H6ClNO
Molecular Weight131.56 g/mol
Exact Mass131.01
IUPAC Name3-chloro-4,5-dimethyl-1,2-oxazole
SMILESCc1onc(Cl)c1C
InChIInChI=1S/C5H6ClNO/c1-3-4(2)8-7-5(3)6/h1-2H3
InChIKeyLZPSBSOLLSDEIY-UHFFFAOYSA-N
XLogP1.94
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.56
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-trimethyl-1,2-oxazole
CID 25375
4,5-dimethyl-1,2-oxazole-3-carboxylic acid
CID 7018552
4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 7018551
butane;ethane;3,4,5-trimethyl-1,2-oxazole
CID 142187309
3-(4,5-dimethyl-1,2-oxazol-3-yl)propanoic acid
CID 4621886
ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 11629661
2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfanyl]acetic acid
CID 12588241
N-tert-butyl-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110855367
(4,5-dimethyl-1,2-oxazol-3-yl) N-methylcarbamate
CID 122163638
N,4,5-trimethyl-N-propan-2-yl-1,2-oxazol-3-amine
CID 122645138
1-(4,5-dimethyl-1,2-oxazol-3-yl)propan-2-amine
CID 82416563
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone
CID 2805168

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethyl-1,2-oxazole?
The IUPAC name of 3-chloro-4,5-dimethyl-1,2-oxazole (CID 12746085) is 3-chloro-4,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 3-chloro-4,5-dimethyl-1,2-oxazole?
The canonical SMILES for 3-chloro-4,5-dimethyl-1,2-oxazole is Cc1onc(Cl)c1C.
What is the InChIKey of 3-chloro-4,5-dimethyl-1,2-oxazole?
The InChIKey is LZPSBSOLLSDEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO/c1-3-4(2)8-7-5(3)6/h1-2H3.
What are the key properties of 3-chloro-4,5-dimethyl-1,2-oxazole?
3-chloro-4,5-dimethyl-1,2-oxazole has a molecular weight of 131.56 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 12746085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).