4,5-bis(2,5-dimethylthiophen-3-yl)-2-phenyl-1,3-oxazole

C21H19NOS2 — CID 15892196

IUPAC4,5-bis(2,5-dimethylthiophen-3-yl)-2-phenyl-1,3-oxazole
SMILESCc1cc(-c2nc(-c3ccccc3)oc2-c2cc(C)sc2C)c(C)s1
InChIInChI=1S/C21H19NOS2/c1-12-10-17(14(3)24-12)19-20(18-11-13(2)25-15(18)4)23-21(22-19)16-8-6-5-7-9-16/h5-11H,1-4H3
InChIKeyKNZRYWOGOASDHQ-UHFFFAOYSA-N
MW365.52 g/mol
LogP7.03
Rot. Bonds3

About 4,5-bis(2,5-dimethylthiophen-3-yl)-2-phenyl-1,3-oxazole

4,5-bis(2,5-dimethylthiophen-3-yl)-2-phenyl-1,3-oxazole (PubChem CID 15892196) has the molecular formula C21H19NOS2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 4,5-bis(2,5-dimethylthiophen-3-yl)-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4,5-bis(2,5-dimethylthiophen-3-yl)-2-phenyl-1,3-oxazole
PubChem CID15892196
Molecular FormulaC21H19NOS2
Molecular Weight365.52 g/mol
Exact Mass365.09
IUPAC Name4,5-bis(2,5-dimethylthiophen-3-yl)-2-phenyl-1,3-oxazole
SMILESCc1cc(-c2nc(-c3ccccc3)oc2-c2cc(C)sc2C)c(C)s1
InChIInChI=1S/C21H19NOS2/c1-12-10-17(14(3)24-12)19-20(18-11-13(2)25-15(18)4)23-21(22-19)16-8-6-5-7-9-16/h5-11H,1-4H3
InChIKeyKNZRYWOGOASDHQ-UHFFFAOYSA-N
XLogP7.03
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2,5-dimethylthiophen-3-yl)-2-phenyl-1,3-oxazole?
The IUPAC name of 4,5-bis(2,5-dimethylthiophen-3-yl)-2-phenyl-1,3-oxazole (CID 15892196) is 4,5-bis(2,5-dimethylthiophen-3-yl)-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4,5-bis(2,5-dimethylthiophen-3-yl)-2-phenyl-1,3-oxazole?
The canonical SMILES for 4,5-bis(2,5-dimethylthiophen-3-yl)-2-phenyl-1,3-oxazole is Cc1cc(-c2nc(-c3ccccc3)oc2-c2cc(C)sc2C)c(C)s1.
What is the InChIKey of 4,5-bis(2,5-dimethylthiophen-3-yl)-2-phenyl-1,3-oxazole?
The InChIKey is KNZRYWOGOASDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NOS2/c1-12-10-17(14(3)24-12)19-20(18-11-13(2)25-15(18)4)23-21(22-19)16-8-6-5-7-9-16/h5-11H,1-4H3.
What are the key properties of 4,5-bis(2,5-dimethylthiophen-3-yl)-2-phenyl-1,3-oxazole?
4,5-bis(2,5-dimethylthiophen-3-yl)-2-phenyl-1,3-oxazole has a molecular weight of 365.52 g/mol, XLogP of 7.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2,5-dimethylthiophen-3-yl)-2-phenyl-1,3-oxazole is sourced from PubChem (CID 15892196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).