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

C23H17NO — CID 14265978

IUPAC2,4-diphenyl-5-[(E)-2-phenylethenyl]-1,3-oxazole
SMILESC(=C/c1oc(-c2ccccc2)nc1-c1ccccc1)\c1ccccc1
InChIInChI=1S/C23H17NO/c1-4-10-18(11-5-1)16-17-21-22(19-12-6-2-7-13-19)24-23(25-21)20-14-8-3-9-15-20/h1-17H/b17-16+
InChIKeyASJBGTBMVQVRRW-WUKNDPDISA-N
MW323.40 g/mol
LogP6.18
Rot. Bonds4

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

2,4-diphenyl-5-[(E)-2-phenylethenyl]-1,3-oxazole (PubChem CID 14265978) has the molecular formula C23H17NO and a molecular weight of 323.40 g/mol. Its IUPAC name is 2,4-diphenyl-5-[(E)-2-phenylethenyl]-1,3-oxazole.

Molecular Properties

Compound Name2,4-diphenyl-5-[(E)-2-phenylethenyl]-1,3-oxazole
PubChem CID14265978
Molecular FormulaC23H17NO
Molecular Weight323.40 g/mol
Exact Mass323.13
IUPAC Name2,4-diphenyl-5-[(E)-2-phenylethenyl]-1,3-oxazole
SMILESC(=C/c1oc(-c2ccccc2)nc1-c1ccccc1)\c1ccccc1
InChIInChI=1S/C23H17NO/c1-4-10-18(11-5-1)16-17-21-22(19-12-6-2-7-13-19)24-23(25-21)20-14-8-3-9-15-20/h1-17H/b17-16+
InChIKeyASJBGTBMVQVRRW-WUKNDPDISA-N
XLogP6.18
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[4-[(E)-2-[4-[(E)-2-[4-[4-[4-(dimethylamino)phenyl]-5-phenyl-1,3-oxazol-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-5-phenyl-1,3-oxazol-4-yl]-N,N-dimethylaniline
CID 58939652
3-phenyl-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carbonitrile
CID 134909030
6-phenyl-2-[4-[(E)-2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
CID 23146226
6-phenyl-2-[4-[2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
CID 68836717
4-[2-[4-[2-[4-[2-[2-[4-[4-(dimethylamino)phenyl]-5-phenyl-1,3-oxazol-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-5-phenyl-1,3-oxazol-4-yl]-N,N-dimethylaniline
CID 69129528
2-[4-(4-phenylbuta-1,3-dienyl)phenyl]-1,3-benzoxazole
CID 154207991
4,5-bis(4-bromophenyl)-2-phenyl-1,3-oxazole
CID 71740991
2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole
CID 59957450
2-methyl-4-phenyl-5-[(E)-2-phenylethenyl]-(118O)1,3-oxazole
CID 134842548
2,6-diphenyl-4-[(E)-2-phenylethenyl]pyridine
CID 164669085
CID 70567885
CID 70567885
CID 70569152
CID 70569152

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-5-[(E)-2-phenylethenyl]-1,3-oxazole?
The IUPAC name of 2,4-diphenyl-5-[(E)-2-phenylethenyl]-1,3-oxazole (CID 14265978) is 2,4-diphenyl-5-[(E)-2-phenylethenyl]-1,3-oxazole.
What is the SMILES notation for 2,4-diphenyl-5-[(E)-2-phenylethenyl]-1,3-oxazole?
The canonical SMILES for 2,4-diphenyl-5-[(E)-2-phenylethenyl]-1,3-oxazole is C(=C/c1oc(-c2ccccc2)nc1-c1ccccc1)\c1ccccc1.
What is the InChIKey of 2,4-diphenyl-5-[(E)-2-phenylethenyl]-1,3-oxazole?
The InChIKey is ASJBGTBMVQVRRW-WUKNDPDISA-N. The full InChI is InChI=1S/C23H17NO/c1-4-10-18(11-5-1)16-17-21-22(19-12-6-2-7-13-19)24-23(25-21)20-14-8-3-9-15-20/h1-17H/b17-16+.
What are the key properties of 2,4-diphenyl-5-[(E)-2-phenylethenyl]-1,3-oxazole?
2,4-diphenyl-5-[(E)-2-phenylethenyl]-1,3-oxazole has a molecular weight of 323.40 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-5-[(E)-2-phenylethenyl]-1,3-oxazole is sourced from PubChem (CID 14265978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).