3-phenyl-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole

C14H10N2OS — CID 164576172

IUPAC3-phenyl-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole
SMILESC(=Cc1cccs1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C14H10N2OS/c1-2-5-11(6-3-1)14-15-13(17-16-14)9-8-12-7-4-10-18-12/h1-10H
InChIKeySELAVPKRPDNULY-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.97
Rot. Bonds3

About 3-phenyl-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole

3-phenyl-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole (PubChem CID 164576172) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-phenyl-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole
PubChem CID164576172
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name3-phenyl-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole
SMILESC(=Cc1cccs1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C14H10N2OS/c1-2-5-11(6-3-1)14-15-13(17-16-14)9-8-12-7-4-10-18-12/h1-10H
InChIKeySELAVPKRPDNULY-UHFFFAOYSA-N
XLogP3.97
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tioxazafen
CID 695679
5-(4-Fluorophenyl)-3-(2-thienyl)-1,2,4-oxadiazole
CID 718718
3-(5-Thiophen-3-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 155514389
4-(5-Thiophen-3-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 155533454
4-(3-Phenyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide
CID 155555817
N-methyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-(2-thienylmethyl)methanamine
CID 16191033
3-(4-Methylphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 784811
3-(2-Methylphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 878991
5-(4-Propylphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 2742670
5-(3-Chloro-thiophen-2-yl)-3-phenyl-[1,2,4]oxadiazole
CID 9878404
3-[(4-Methylphenyl)methyl]-5-(thiophen-3-yl)-1,2,4-oxadiazole
CID 6539917
5-[(4-Methylphenyl)methyl]-3-(thiophen-3-yl)-1,2,4-oxadiazole
CID 6539919

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole (CID 164576172) is 3-phenyl-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole is C(=Cc1cccs1)c1nc(-c2ccccc2)no1.
What is the InChIKey of 3-phenyl-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole?
The InChIKey is SELAVPKRPDNULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c1-2-5-11(6-3-1)14-15-13(17-16-14)9-8-12-7-4-10-18-12/h1-10H.
What are the key properties of 3-phenyl-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole?
3-phenyl-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole has a molecular weight of 254.31 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 164576172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).