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

C9H6ClNO2 — CID 84666521

IUPAC3-(5-chloro-1,2-oxazol-3-yl)phenol
SMILESOc1cccc(-c2cc(Cl)on2)c1
InChIInChI=1S/C9H6ClNO2/c10-9-5-8(11-13-9)6-2-1-3-7(12)4-6/h1-5,12H
InChIKeyNOIYCTFWHBDVGI-UHFFFAOYSA-N
MW195.61 g/mol
LogP2.70
Rot. Bonds1

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

3-(5-chloro-1,2-oxazol-3-yl)phenol (PubChem CID 84666521) has the molecular formula C9H6ClNO2 and a molecular weight of 195.61 g/mol. Its IUPAC name is 3-(5-chloro-1,2-oxazol-3-yl)phenol.

Molecular Properties

Compound Name3-(5-chloro-1,2-oxazol-3-yl)phenol
PubChem CID84666521
Molecular FormulaC9H6ClNO2
Molecular Weight195.61 g/mol
Exact Mass195.01
IUPAC Name3-(5-chloro-1,2-oxazol-3-yl)phenol
SMILESOc1cccc(-c2cc(Cl)on2)c1
InChIInChI=1S/C9H6ClNO2/c10-9-5-8(11-13-9)6-2-1-3-7(12)4-6/h1-5,12H
InChIKeyNOIYCTFWHBDVGI-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

3-(5-chloro-1,2-oxazol-3-yl)benzonitrile
CID 18612646
5-chloro-3-(5-chloro-1,2-oxazol-3-yl)-1,2-oxazole
CID 102102777
5-chloro-3-(4-iodophenyl)-1,2-oxazole
CID 18612669
3-(3-amino-1,2,4-oxadiazol-5-yl)phenol
CID 115079196
5-chloro-3-(3-fluoro-4-methylphenyl)-1,2-oxazole
CID 80646398
3-(4-chlorophenyl)phenol
CID 3015395
3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921176
3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 3382841
3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol
CID 14911479
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845255
5-chloro-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazole
CID 80645898
3-(5-chloro-1H-1,2,4-triazol-3-yl)phenol
CID 84666531

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1,2-oxazol-3-yl)phenol?
The IUPAC name of 3-(5-chloro-1,2-oxazol-3-yl)phenol (CID 84666521) is 3-(5-chloro-1,2-oxazol-3-yl)phenol.
What is the SMILES notation for 3-(5-chloro-1,2-oxazol-3-yl)phenol?
The canonical SMILES for 3-(5-chloro-1,2-oxazol-3-yl)phenol is Oc1cccc(-c2cc(Cl)on2)c1.
What is the InChIKey of 3-(5-chloro-1,2-oxazol-3-yl)phenol?
The InChIKey is NOIYCTFWHBDVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c10-9-5-8(11-13-9)6-2-1-3-7(12)4-6/h1-5,12H.
What are the key properties of 3-(5-chloro-1,2-oxazol-3-yl)phenol?
3-(5-chloro-1,2-oxazol-3-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 3-(5-chloro-1,2-oxazol-3-yl)phenol is sourced from PubChem (CID 84666521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).