2-chloro-4-methyl-1,3-oxazole;hydrochloride

C4H5Cl2NO — CID 139022515

IUPAC2-chloro-4-methyl-1,3-oxazole;hydrochloride
SMILESCc1coc(Cl)n1.Cl
InChIInChI=1S/C4H4ClNO.ClH/c1-3-2-7-4(5)6-3;/h2H,1H3;1H
InChIKeyOFBPPWRDXRWTEB-UHFFFAOYSA-N
MW154.00 g/mol
LogP2.06
Rot. Bonds

About 2-chloro-4-methyl-1,3-oxazole;hydrochloride

2-chloro-4-methyl-1,3-oxazole;hydrochloride (PubChem CID 139022515) has the molecular formula C4H5Cl2NO and a molecular weight of 154.00 g/mol. Its IUPAC name is 2-chloro-4-methyl-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name2-chloro-4-methyl-1,3-oxazole;hydrochloride
PubChem CID139022515
Molecular FormulaC4H5Cl2NO
Molecular Weight154.00 g/mol
Exact Mass152.97
IUPAC Name2-chloro-4-methyl-1,3-oxazole;hydrochloride
SMILESCc1coc(Cl)n1.Cl
InChIInChI=1S/C4H4ClNO.ClH/c1-3-2-7-4(5)6-3;/h2H,1H3;1H
InChIKeyOFBPPWRDXRWTEB-UHFFFAOYSA-N
XLogP2.06
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.00
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-1,3-oxazole;hydrochloride?
The IUPAC name of 2-chloro-4-methyl-1,3-oxazole;hydrochloride (CID 139022515) is 2-chloro-4-methyl-1,3-oxazole;hydrochloride.
What is the SMILES notation for 2-chloro-4-methyl-1,3-oxazole;hydrochloride?
The canonical SMILES for 2-chloro-4-methyl-1,3-oxazole;hydrochloride is Cc1coc(Cl)n1.Cl.
What is the InChIKey of 2-chloro-4-methyl-1,3-oxazole;hydrochloride?
The InChIKey is OFBPPWRDXRWTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClNO.ClH/c1-3-2-7-4(5)6-3;/h2H,1H3;1H.
What are the key properties of 2-chloro-4-methyl-1,3-oxazole;hydrochloride?
2-chloro-4-methyl-1,3-oxazole;hydrochloride has a molecular weight of 154.00 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-1,3-oxazole;hydrochloride is sourced from PubChem (CID 139022515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).