2-chloro-1,3-oxazole

C3H2ClNO — CID 13371074

IUPAC2-chloro-1,3-oxazole
SMILESClc1ncco1
InChIInChI=1S/C3H2ClNO/c4-3-5-1-2-6-3/h1-2H
InChIKeySSXYKBHZZRYLLY-UHFFFAOYSA-N
MW103.51 g/mol
LogP1.33
Rot. Bonds

About 2-chloro-1,3-oxazole

2-chloro-1,3-oxazole (PubChem CID 13371074) has the molecular formula C3H2ClNO and a molecular weight of 103.51 g/mol. Its IUPAC name is 2-chloro-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-1,3-oxazole
PubChem CID13371074
Molecular FormulaC3H2ClNO
Molecular Weight103.51 g/mol
Exact Mass102.98
IUPAC Name2-chloro-1,3-oxazole
SMILESClc1ncco1
InChIInChI=1S/C3H2ClNO/c4-3-5-1-2-6-3/h1-2H
InChIKeySSXYKBHZZRYLLY-UHFFFAOYSA-N
XLogP1.33
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.51
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-oxazole?
The IUPAC name of 2-chloro-1,3-oxazole (CID 13371074) is 2-chloro-1,3-oxazole.
What is the SMILES notation for 2-chloro-1,3-oxazole?
The canonical SMILES for 2-chloro-1,3-oxazole is Clc1ncco1.
What is the InChIKey of 2-chloro-1,3-oxazole?
The InChIKey is SSXYKBHZZRYLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClNO/c4-3-5-1-2-6-3/h1-2H.
What are the key properties of 2-chloro-1,3-oxazole?
2-chloro-1,3-oxazole has a molecular weight of 103.51 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-oxazole is sourced from PubChem (CID 13371074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).