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

C9H6ClNO2 — CID 105449568

IUPAC2-(2-chloro-1,3-oxazol-4-yl)phenol
SMILESOc1ccccc1-c1coc(Cl)n1
InChIInChI=1S/C9H6ClNO2/c10-9-11-7(5-13-9)6-3-1-2-4-8(6)12/h1-5,12H
InChIKeyHBXXIKNFDGOMHR-UHFFFAOYSA-N
MW195.61 g/mol
LogP2.70
Rot. Bonds1

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

2-(2-chloro-1,3-oxazol-4-yl)phenol (PubChem CID 105449568) has the molecular formula C9H6ClNO2 and a molecular weight of 195.61 g/mol. Its IUPAC name is 2-(2-chloro-1,3-oxazol-4-yl)phenol.

Molecular Properties

Compound Name2-(2-chloro-1,3-oxazol-4-yl)phenol
PubChem CID105449568
Molecular FormulaC9H6ClNO2
Molecular Weight195.61 g/mol
Exact Mass195.01
IUPAC Name2-(2-chloro-1,3-oxazol-4-yl)phenol
SMILESOc1ccccc1-c1coc(Cl)n1
InChIInChI=1S/C9H6ClNO2/c10-9-11-7(5-13-9)6-3-1-2-4-8(6)12/h1-5,12H
InChIKeyHBXXIKNFDGOMHR-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-(2-fluorophenyl)-1,3-oxazole
CID 89389386
4-(2-chloro-1,3-oxazol-4-yl)phenol
CID 105449569
2-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]phenol
CID 115031212
2-chloro-4-phenyl-1,3-oxazole;fluorobenzene
CID 21408523
2-chloro-4-(4-methylphenyl)-1,3-oxazole
CID 21408388
2-(1-chloroimidazo[1,5-a]pyridin-3-yl)phenol
CID 137005599
2-(2-hydroxyphenyl)phenol;naphthalene
CID 70386801
2-(5-chloro-1-methylpyrazol-4-yl)phenol
CID 84676420
2-(6-fluoro-2-pyridinyl)phenol
CID 136595488
2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]phenol
CID 105460333
2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol
CID 102334535
2-pyridin-2-ylphenol;hydrate
CID 175244966

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-1,3-oxazol-4-yl)phenol?
The IUPAC name of 2-(2-chloro-1,3-oxazol-4-yl)phenol (CID 105449568) is 2-(2-chloro-1,3-oxazol-4-yl)phenol.
What is the SMILES notation for 2-(2-chloro-1,3-oxazol-4-yl)phenol?
The canonical SMILES for 2-(2-chloro-1,3-oxazol-4-yl)phenol is Oc1ccccc1-c1coc(Cl)n1.
What is the InChIKey of 2-(2-chloro-1,3-oxazol-4-yl)phenol?
The InChIKey is HBXXIKNFDGOMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c10-9-11-7(5-13-9)6-3-1-2-4-8(6)12/h1-5,12H.
What are the key properties of 2-(2-chloro-1,3-oxazol-4-yl)phenol?
2-(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 2-(2-chloro-1,3-oxazol-4-yl)phenol is sourced from PubChem (CID 105449568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).