2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole

C24H17N3O2 — CID 6436943

IUPAC2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
SMILESCc1noc(-c2ccc(/C=C/c3ccc(-c4nc5ccccc5o4)cc3)cc2)n1
InChIInChI=1S/C24H17N3O2/c1-16-25-24(29-27-16)20-14-10-18(11-15-20)7-6-17-8-12-19(13-9-17)23-26-21-4-2-3-5-22(21)28-23/h2-15H,1H3/b7-6+
InChIKeyYDADFDRLKYUBEW-VOTSOKGWSA-N
MW379.42 g/mol
LogP6.02
Rot. Bonds4

About 2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole

2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole (PubChem CID 6436943) has the molecular formula C24H17N3O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
PubChem CID6436943
Molecular FormulaC24H17N3O2
Molecular Weight379.42 g/mol
Exact Mass379.13
IUPAC Name2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
SMILESCc1noc(-c2ccc(/C=C/c3ccc(-c4nc5ccccc5o4)cc3)cc2)n1
InChIInChI=1S/C24H17N3O2/c1-16-25-24(29-27-16)20-14-10-18(11-15-20)7-6-17-8-12-19(13-9-17)23-26-21-4-2-3-5-22(21)28-23/h2-15H,1H3/b7-6+
InChIKeyYDADFDRLKYUBEW-VOTSOKGWSA-N
XLogP6.02
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-p-Tolylbenzoxazole
CID 70039
4,4'-Bis(2-benzoxazolyl)stilbene
CID 73744
5-Methyl-2-[4-[2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
CID 102253
2-[4-[2-[4-(2-Benzoxazolyl)phenyl]ethenyl]phenyl]-5-methylbenzoxazole
CID 111052
Benzoxazole, 2-(4-(2-(4-(2-benzoxazolyl)phenyl)ethenyl)phenyl)-5-methyl-
CID 5761588
4,4'-Bis(5-methyl-2-benzoxazolyl)stilbene
CID 6436901
2,2'-(Vinylenedi-4-phenylene)bis(benzoxazole)
CID 5702717
N-Benzooxazol-2-yl-N',N''-dibenzoyl-guanidine
CID 3846713
4-[5-(4,7-Dimethyl-1,3-benzoxazol-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 121432507
2-(4-((Pyrrolidin-1-yl)methyl)phenyl)benzo[d]oxazole (6j)
CID 126961653
2-Biphenylbenzoxazole
CID 868539
US10752616, Code No. BHBA-026
CID 121414308

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole (CID 6436943) is 2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole is Cc1noc(-c2ccc(/C=C/c3ccc(-c4nc5ccccc5o4)cc3)cc2)n1.
What is the InChIKey of 2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole?
The InChIKey is YDADFDRLKYUBEW-VOTSOKGWSA-N. The full InChI is InChI=1S/C24H17N3O2/c1-16-25-24(29-27-16)20-14-10-18(11-15-20)7-6-17-8-12-19(13-9-17)23-26-21-4-2-3-5-22(21)28-23/h2-15H,1H3/b7-6+.
What are the key properties of 2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole?
2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole has a molecular weight of 379.42 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 6436943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).