4,5-diphenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole

C21H15NOS — CID 126495209

IUPAC4,5-diphenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole
SMILESC(=C/c1cccs1)\c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C21H15NOS/c1-3-8-16(9-4-1)20-21(17-10-5-2-6-11-17)23-19(22-20)14-13-18-12-7-15-24-18/h1-15H/b14-13+
InChIKeyWMKHEJAMKQPIJQ-BUHFOSPRSA-N
MW329.42 g/mol
LogP6.24
Rot. Bonds4

About 4,5-diphenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole

4,5-diphenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole (PubChem CID 126495209) has the molecular formula C21H15NOS and a molecular weight of 329.42 g/mol. Its IUPAC name is 4,5-diphenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-diphenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole
PubChem CID126495209
Molecular FormulaC21H15NOS
Molecular Weight329.42 g/mol
Exact Mass329.09
IUPAC Name4,5-diphenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole
SMILESC(=C/c1cccs1)\c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C21H15NOS/c1-3-8-16(9-4-1)20-21(17-10-5-2-6-11-17)23-19(22-20)14-13-18-12-7-15-24-18/h1-15H/b14-13+
InChIKeyWMKHEJAMKQPIJQ-BUHFOSPRSA-N
XLogP6.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.42
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-thiophen-2-ylethenyl)-1,3-benzoxazin-4-one
CID 4888492
2-[(E)-2-[(1Z)-buta-1,3-dienoxy]ethenyl]-4,5-diphenyl-1,3-oxazole
CID 135258757
2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 19937826
2-[2-[(E)-2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenoxy]acetic acid
CID 10069380
5-(dimethylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 2989339
ethyl 5-methyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carboxylate
CID 44557518
5-(4-benzylpiperazin-1-yl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 2986342
5-piperidin-1-yl-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750727
3-(4-methoxyphenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole
CID 167991639
4-[(E)-2-thiophen-2-ylethenyl]pyridine
CID 10932177
2-(2-thiophen-2-ylethenyl)quinoline
CID 4107923
4-(benzenesulfonyl)-N-(2-methoxyethyl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazol-5-amine
CID 71965771

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole?
The IUPAC name of 4,5-diphenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole (CID 126495209) is 4,5-diphenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole.
What is the SMILES notation for 4,5-diphenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole?
The canonical SMILES for 4,5-diphenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole is C(=C/c1cccs1)\c1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 4,5-diphenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole?
The InChIKey is WMKHEJAMKQPIJQ-BUHFOSPRSA-N. The full InChI is InChI=1S/C21H15NOS/c1-3-8-16(9-4-1)20-21(17-10-5-2-6-11-17)23-19(22-20)14-13-18-12-7-15-24-18/h1-15H/b14-13+.
What are the key properties of 4,5-diphenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole?
4,5-diphenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole has a molecular weight of 329.42 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole is sourced from PubChem (CID 126495209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).