5-chloro-2-phenyl-1,3-oxazol-4-ol

C9H6ClNO2 — CID 141006928

IUPAC5-chloro-2-phenyl-1,3-oxazol-4-ol
SMILESOc1nc(-c2ccccc2)oc1Cl
InChIInChI=1S/C9H6ClNO2/c10-7-8(12)11-9(13-7)6-4-2-1-3-5-6/h1-5,12H
InChIKeyDFMMRDZMYNVSLT-UHFFFAOYSA-N
MW195.61 g/mol
LogP2.70
Rot. Bonds1

About 5-chloro-2-phenyl-1,3-oxazol-4-ol

5-chloro-2-phenyl-1,3-oxazol-4-ol (PubChem CID 141006928) has the molecular formula C9H6ClNO2 and a molecular weight of 195.61 g/mol. Its IUPAC name is 5-chloro-2-phenyl-1,3-oxazol-4-ol.

Molecular Properties

Compound Name5-chloro-2-phenyl-1,3-oxazol-4-ol
PubChem CID141006928
Molecular FormulaC9H6ClNO2
Molecular Weight195.61 g/mol
Exact Mass195.01
IUPAC Name5-chloro-2-phenyl-1,3-oxazol-4-ol
SMILESOc1nc(-c2ccccc2)oc1Cl
InChIInChI=1S/C9H6ClNO2/c10-7-8(12)11-9(13-7)6-4-2-1-3-5-6/h1-5,12H
InChIKeyDFMMRDZMYNVSLT-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

4-chloro-2-phenyl-1,3-oxazol-5-amine
CID 69335141
4,8-dichloro-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 134923956
ethane;methanesulfonic acid;5-methyl-2-phenyl-1,3-oxazol-4-ol
CID 87970462
carbonyl difluoride;2-phenyl-1,3-benzoxazole
CID 158063385
4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol
CID 143547585
N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide
CID 139917835
beryllium;hydride;2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol
CID 174487083
2,5-dichloro-3,4-diphenylfuran
CID 139844341
2-(4-chlorophenyl)-4-hydroxy-5-methyl-1,3-oxazin-6-one
CID 135466709
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
5-amino-2-phenyl-1,3-oxazole-4-carbothioamide
CID 2741465
2-(4-chlorophenyl)-4-phenyl-1,3-oxazole
CID 15358896

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-phenyl-1,3-oxazol-4-ol?
The IUPAC name of 5-chloro-2-phenyl-1,3-oxazol-4-ol (CID 141006928) is 5-chloro-2-phenyl-1,3-oxazol-4-ol.
What is the SMILES notation for 5-chloro-2-phenyl-1,3-oxazol-4-ol?
The canonical SMILES for 5-chloro-2-phenyl-1,3-oxazol-4-ol is Oc1nc(-c2ccccc2)oc1Cl.
What is the InChIKey of 5-chloro-2-phenyl-1,3-oxazol-4-ol?
The InChIKey is DFMMRDZMYNVSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c10-7-8(12)11-9(13-7)6-4-2-1-3-5-6/h1-5,12H.
What are the key properties of 5-chloro-2-phenyl-1,3-oxazol-4-ol?
5-chloro-2-phenyl-1,3-oxazol-4-ol 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 5-chloro-2-phenyl-1,3-oxazol-4-ol is sourced from PubChem (CID 141006928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).