5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole

C13H10N2OS — CID 1479634

IUPAC5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole
SMILESCc1oncc1-c1csc(-c2ccccc2)n1
InChIInChI=1S/C13H10N2OS/c1-9-11(7-14-16-9)12-8-17-13(15-12)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyDXNKVFULNYRCOG-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.77
Rot. Bonds2

About 5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole

5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole (PubChem CID 1479634) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole
PubChem CID1479634
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole
SMILESCc1oncc1-c1csc(-c2ccccc2)n1
InChIInChI=1S/C13H10N2OS/c1-9-11(7-14-16-9)12-8-17-13(15-12)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyDXNKVFULNYRCOG-UHFFFAOYSA-N
XLogP3.77
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole?
The IUPAC name of 5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole (CID 1479634) is 5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole?
The canonical SMILES for 5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole is Cc1oncc1-c1csc(-c2ccccc2)n1.
What is the InChIKey of 5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole?
The InChIKey is DXNKVFULNYRCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-9-11(7-14-16-9)12-8-17-13(15-12)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole?
5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole has a molecular weight of 242.30 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 1479634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).