(3-chloro-1,2-oxazol-5-yl)methanol

C8H8Cl2N2O4 — CID 159274465

IUPAC(3-chloro-1,2-oxazol-5-yl)methanol
SMILESOCc1cc(Cl)no1.OCc1cc(Cl)no1
InChIInChI=1S/2C4H4ClNO2/c2*5-4-1-3(2-7)8-6-4/h2*1,7H,2H2
InChIKeyKYCWVOUDYZJUBJ-UHFFFAOYSA-N
MW267.07 g/mol
LogP1.64
Rot. Bonds2

About (3-chloro-1,2-oxazol-5-yl)methanol

(3-chloro-1,2-oxazol-5-yl)methanol (PubChem CID 159274465) has the molecular formula C8H8Cl2N2O4 and a molecular weight of 267.07 g/mol. Its IUPAC name is (3-chloro-1,2-oxazol-5-yl)methanol.

Molecular Properties

Compound Name(3-chloro-1,2-oxazol-5-yl)methanol
PubChem CID159274465
Molecular FormulaC8H8Cl2N2O4
Molecular Weight267.07 g/mol
Exact Mass265.99
IUPAC Name(3-chloro-1,2-oxazol-5-yl)methanol
SMILESOCc1cc(Cl)no1.OCc1cc(Cl)no1
InChIInChI=1S/2C4H4ClNO2/c2*5-4-1-3(2-7)8-6-4/h2*1,7H,2H2
InChIKeyKYCWVOUDYZJUBJ-UHFFFAOYSA-N
XLogP1.64
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-1,2-oxazol-5-yl)methanol?
The IUPAC name of (3-chloro-1,2-oxazol-5-yl)methanol (CID 159274465) is (3-chloro-1,2-oxazol-5-yl)methanol.
What is the SMILES notation for (3-chloro-1,2-oxazol-5-yl)methanol?
The canonical SMILES for (3-chloro-1,2-oxazol-5-yl)methanol is OCc1cc(Cl)no1.OCc1cc(Cl)no1.
What is the InChIKey of (3-chloro-1,2-oxazol-5-yl)methanol?
The InChIKey is KYCWVOUDYZJUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H4ClNO2/c2*5-4-1-3(2-7)8-6-4/h2*1,7H,2H2.
What are the key properties of (3-chloro-1,2-oxazol-5-yl)methanol?
(3-chloro-1,2-oxazol-5-yl)methanol has a molecular weight of 267.07 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1,2-oxazol-5-yl)methanol is sourced from PubChem (CID 159274465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).