4-(2-chloro-1,3-oxazol-4-yl)phenol

C9H6ClNO2 — CID 105449569

IUPAC4-(2-chloro-1,3-oxazol-4-yl)phenol
SMILESOc1ccc(-c2coc(Cl)n2)cc1
InChIInChI=1S/C9H6ClNO2/c10-9-11-8(5-13-9)6-1-3-7(12)4-2-6/h1-5,12H
InChIKeyPBEIJGQYJCTOHA-UHFFFAOYSA-N
MW195.61 g/mol
LogP2.70
Rot. Bonds1

About 4-(2-chloro-1,3-oxazol-4-yl)phenol

4-(2-chloro-1,3-oxazol-4-yl)phenol (PubChem CID 105449569) has the molecular formula C9H6ClNO2 and a molecular weight of 195.61 g/mol. Its IUPAC name is 4-(2-chloro-1,3-oxazol-4-yl)phenol.

Molecular Properties

Compound Name4-(2-chloro-1,3-oxazol-4-yl)phenol
PubChem CID105449569
Molecular FormulaC9H6ClNO2
Molecular Weight195.61 g/mol
Exact Mass195.01
IUPAC Name4-(2-chloro-1,3-oxazol-4-yl)phenol
SMILESOc1ccc(-c2coc(Cl)n2)cc1
InChIInChI=1S/C9H6ClNO2/c10-9-11-8(5-13-9)6-1-3-7(12)4-2-6/h1-5,12H
InChIKeyPBEIJGQYJCTOHA-UHFFFAOYSA-N
XLogP2.70
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(4-methylphenyl)-1,3-oxazole
CID 21408388
2-chloro-4-phenyl-1,3-oxazole;fluorobenzene
CID 21408523
2-(2-chloro-1,3-oxazol-4-yl)phenol
CID 105449568
2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2-chloro-4-(4-methylphenyl)-1,3-oxazole
CID 21409118
4-(4-chlorophenyl)-2-iodo-1,3-oxazole
CID 102974677
4-[2-[1-(aminomethyl)cyclopropyl]-1,3-oxazol-4-yl]phenol
CID 105487728
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenol
CID 1473815
2-chloro-4-(2-fluorophenyl)-1,3-oxazole
CID 89389386
2-(4-chlorophenyl)-4-phenyl-1,3-oxazole
CID 15358896
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenol
CID 83794182
4-[2-(2-phenoxyethylsulfanylmethyl)-1,3-oxazol-4-yl]phenol
CID 21108704

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-1,3-oxazol-4-yl)phenol?
The IUPAC name of 4-(2-chloro-1,3-oxazol-4-yl)phenol (CID 105449569) is 4-(2-chloro-1,3-oxazol-4-yl)phenol.
What is the SMILES notation for 4-(2-chloro-1,3-oxazol-4-yl)phenol?
The canonical SMILES for 4-(2-chloro-1,3-oxazol-4-yl)phenol is Oc1ccc(-c2coc(Cl)n2)cc1.
What is the InChIKey of 4-(2-chloro-1,3-oxazol-4-yl)phenol?
The InChIKey is PBEIJGQYJCTOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c10-9-11-8(5-13-9)6-1-3-7(12)4-2-6/h1-5,12H.
What are the key properties of 4-(2-chloro-1,3-oxazol-4-yl)phenol?
4-(2-chloro-1,3-oxazol-4-yl)phenol has a molecular weight of 195.61 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-1,3-oxazol-4-yl)phenol is sourced from PubChem (CID 105449569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).