5-phenyl-3-thiophen-2-yl-1,2-oxazole

C13H9NOS — CID 12681082

IUPAC5-phenyl-3-thiophen-2-yl-1,2-oxazole
SMILESc1ccc(-c2cc(-c3cccs3)no2)cc1
InChIInChI=1S/C13H9NOS/c1-2-5-10(6-3-1)12-9-11(14-15-12)13-7-4-8-16-13/h1-9H
InChIKeyUGWMYRXTPKHQLW-UHFFFAOYSA-N
MW227.29 g/mol
LogP4.07
Rot. Bonds2

About 5-phenyl-3-thiophen-2-yl-1,2-oxazole

5-phenyl-3-thiophen-2-yl-1,2-oxazole (PubChem CID 12681082) has the molecular formula C13H9NOS and a molecular weight of 227.29 g/mol. Its IUPAC name is 5-phenyl-3-thiophen-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-3-thiophen-2-yl-1,2-oxazole
PubChem CID12681082
Molecular FormulaC13H9NOS
Molecular Weight227.29 g/mol
Exact Mass227.04
IUPAC Name5-phenyl-3-thiophen-2-yl-1,2-oxazole
SMILESc1ccc(-c2cc(-c3cccs3)no2)cc1
InChIInChI=1S/C13H9NOS/c1-2-5-10(6-3-1)12-9-11(14-15-12)13-7-4-8-16-13/h1-9H
InChIKeyUGWMYRXTPKHQLW-UHFFFAOYSA-N
XLogP4.07
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Diphenylisoxazole
CID 137292
3-Phenyl-5-[(phenylsulfonyl)methyl]isoxazole
CID 1479607
4-Chlorophenyl (5-phenyl-3-isoxazolyl)methyl sulfide
CID 1484772
S-phenyl 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbothioate
CID 2746124
3-[3-(4-Methylcyclohexyl)-1,2-oxazol-5-yl]-5-phenylthiophene-2-carboxylic acid
CID 49863114
3-phenyl-5-[(3S)-3-phenyl-8-thiabicyclo[3.2.1]octan-2-yl]-1,2-oxazole
CID 53316708
3-(4-Methoxyphenyl)-4-(2-thienyl)isoxazole
CID 145916483
2-{[(3-Methyl-1,2-oxazol-5-yl)methyl]sulfanyl}benzoic acid
CID 7131495
5-phenyl-N-(2-thienylmethyl)-3-isoxazolecarboxamide
CID 973872
N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89665064
3-(Thiophen-2-yl)-5-(trifluoromethyl)isoxazole
CID 736194
2-(3-Methylisoxazol-5-yl)-3-(4-fluorophenyl)-8-thiabicyclo[3.2.1]oct-2-ene
CID 53317717

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-thiophen-2-yl-1,2-oxazole?
The IUPAC name of 5-phenyl-3-thiophen-2-yl-1,2-oxazole (CID 12681082) is 5-phenyl-3-thiophen-2-yl-1,2-oxazole.
What is the SMILES notation for 5-phenyl-3-thiophen-2-yl-1,2-oxazole?
The canonical SMILES for 5-phenyl-3-thiophen-2-yl-1,2-oxazole is c1ccc(-c2cc(-c3cccs3)no2)cc1.
What is the InChIKey of 5-phenyl-3-thiophen-2-yl-1,2-oxazole?
The InChIKey is UGWMYRXTPKHQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NOS/c1-2-5-10(6-3-1)12-9-11(14-15-12)13-7-4-8-16-13/h1-9H.
What are the key properties of 5-phenyl-3-thiophen-2-yl-1,2-oxazole?
5-phenyl-3-thiophen-2-yl-1,2-oxazole has a molecular weight of 227.29 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-thiophen-2-yl-1,2-oxazole is sourced from PubChem (CID 12681082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).