2-chloro-5-methyl-1,3-oxazole

C4H4ClNO — CID 20691934

IUPAC2-chloro-5-methyl-1,3-oxazole
SMILESCc1cnc(Cl)o1
InChIInChI=1S/C4H4ClNO/c1-3-2-6-4(5)7-3/h2H,1H3
InChIKeyCBCCZOGCQCTMGJ-UHFFFAOYSA-N
MW117.53 g/mol
LogP1.64
Rot. Bonds

About 2-chloro-5-methyl-1,3-oxazole

2-chloro-5-methyl-1,3-oxazole (PubChem CID 20691934) has the molecular formula C4H4ClNO and a molecular weight of 117.53 g/mol. Its IUPAC name is 2-chloro-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-5-methyl-1,3-oxazole
PubChem CID20691934
Molecular FormulaC4H4ClNO
Molecular Weight117.53 g/mol
Exact Mass117.00
IUPAC Name2-chloro-5-methyl-1,3-oxazole
SMILESCc1cnc(Cl)o1
InChIInChI=1S/C4H4ClNO/c1-3-2-6-4(5)7-3/h2H,1H3
InChIKeyCBCCZOGCQCTMGJ-UHFFFAOYSA-N
XLogP1.64
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.53
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-1,3-oxazole?
The IUPAC name of 2-chloro-5-methyl-1,3-oxazole (CID 20691934) is 2-chloro-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-chloro-5-methyl-1,3-oxazole?
The canonical SMILES for 2-chloro-5-methyl-1,3-oxazole is Cc1cnc(Cl)o1.
What is the InChIKey of 2-chloro-5-methyl-1,3-oxazole?
The InChIKey is CBCCZOGCQCTMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClNO/c1-3-2-6-4(5)7-3/h2H,1H3.
What are the key properties of 2-chloro-5-methyl-1,3-oxazole?
2-chloro-5-methyl-1,3-oxazole has a molecular weight of 117.53 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-1,3-oxazole is sourced from PubChem (CID 20691934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).