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

C19H14N2OS — CID 123509848

IUPAC2-[3-[4-methyl-2-(1,3-thiazol-2-yl)phenyl]phenyl]-1,3-oxazole
SMILESCc1ccc(-c2cccc(-c3ncco3)c2)c(-c2nccs2)c1
InChIInChI=1S/C19H14N2OS/c1-13-5-6-16(17(11-13)19-21-8-10-23-19)14-3-2-4-15(12-14)18-20-7-9-22-18/h2-12H,1H3
InChIKeyWDAHDMUZOCZEPD-UHFFFAOYSA-N
MW318.40 g/mol
LogP5.44
Rot. Bonds3

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

2-[3-[4-methyl-2-(1,3-thiazol-2-yl)phenyl]phenyl]-1,3-oxazole (PubChem CID 123509848) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[3-[4-methyl-2-(1,3-thiazol-2-yl)phenyl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3-[4-methyl-2-(1,3-thiazol-2-yl)phenyl]phenyl]-1,3-oxazole
PubChem CID123509848
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name2-[3-[4-methyl-2-(1,3-thiazol-2-yl)phenyl]phenyl]-1,3-oxazole
SMILESCc1ccc(-c2cccc(-c3ncco3)c2)c(-c2nccs2)c1
InChIInChI=1S/C19H14N2OS/c1-13-5-6-16(17(11-13)19-21-8-10-23-19)14-3-2-4-15(12-14)18-20-7-9-22-18/h2-12H,1H3
InChIKeyWDAHDMUZOCZEPD-UHFFFAOYSA-N
XLogP5.44
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Difluoro-N-[5-(2-methyl-5-oxazol-2-yl-phenyl)-thiophen-2-yl]-benzamide
CID 11639836
N-[1-(furan-2-yl)ethyl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
CID 59432577
2-[1-[2-(1,3-Oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-1,3-oxazole
CID 91554011
2,6-Bisoxazolylnaphthalene
CID 129679430
4,4'-Di(2-oxazolyl)stilbene
CID 129790370
4,4'-Di(2-oxazolyl)biphenyl
CID 134811633
5-methyl-2-naphthalen-2-yl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 25380661
3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
CID 11494628
N-(2,6-difluorophenyl)-4-methyl-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide
CID 24764558
N-(2,6-difluorophenyl)-2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 24764651
2-(2,6-Difluorophenyl)-1-[13-(1,3-oxazol-2-yl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl]ethanone
CID 58164813
3,5-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
CID 58703382

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-methyl-2-(1,3-thiazol-2-yl)phenyl]phenyl]-1,3-oxazole?
The IUPAC name of 2-[3-[4-methyl-2-(1,3-thiazol-2-yl)phenyl]phenyl]-1,3-oxazole (CID 123509848) is 2-[3-[4-methyl-2-(1,3-thiazol-2-yl)phenyl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-[3-[4-methyl-2-(1,3-thiazol-2-yl)phenyl]phenyl]-1,3-oxazole?
The canonical SMILES for 2-[3-[4-methyl-2-(1,3-thiazol-2-yl)phenyl]phenyl]-1,3-oxazole is Cc1ccc(-c2cccc(-c3ncco3)c2)c(-c2nccs2)c1.
What is the InChIKey of 2-[3-[4-methyl-2-(1,3-thiazol-2-yl)phenyl]phenyl]-1,3-oxazole?
The InChIKey is WDAHDMUZOCZEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c1-13-5-6-16(17(11-13)19-21-8-10-23-19)14-3-2-4-15(12-14)18-20-7-9-22-18/h2-12H,1H3.
What are the key properties of 2-[3-[4-methyl-2-(1,3-thiazol-2-yl)phenyl]phenyl]-1,3-oxazole?
2-[3-[4-methyl-2-(1,3-thiazol-2-yl)phenyl]phenyl]-1,3-oxazole has a molecular weight of 318.40 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-methyl-2-(1,3-thiazol-2-yl)phenyl]phenyl]-1,3-oxazole is sourced from PubChem (CID 123509848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).