(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-methylthiophene-2-carboxylate

C15H12N2O3S — CID 2103318

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H12N2O3S/c1-10-7-8-21-13(10)15(18)19-9-12-16-17-14(20-12)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyKHZYHKDTGTYWAP-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.46
Rot. Bonds4

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-methylthiophene-2-carboxylate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-methylthiophene-2-carboxylate (PubChem CID 2103318) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-methylthiophene-2-carboxylate
PubChem CID2103318
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H12N2O3S/c1-10-7-8-21-13(10)15(18)19-9-12-16-17-14(20-12)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyKHZYHKDTGTYWAP-UHFFFAOYSA-N
XLogP3.46
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-Phenyl-1-(5-(thien-2-yl)-1,3,4-oxadiazol-2-yl)-heptan-1-one
CID 24950842
1,3,4-Oxadiazole, 2-(4-methylphenyl)-5-(2-thienyl)-
CID 745354
(5-Phenyl-1,3,4-oxadiazol-2-yl)-thiophen-2-ylmethanol
CID 4964129
(E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-thiophen-2-ylprop-2-enoic acid
CID 5846306
[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-YL]methyl 2-thiophenecarboxylate
CID 6458328
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3-methylthiophene-2-carboxylate
CID 7835099
1-(5-Thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 3-(4-methylphenyl)sulfonylpropanoate
CID 16293234
2-(Benzylsulfanyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole
CID 646210
4-Fluorobenzoic acid 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester
CID 44460133
2-(2-Methylphenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole
CID 1488527
(5-Thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid benzyl ester
CID 655056
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2080327

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-methylthiophene-2-carboxylate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-methylthiophene-2-carboxylate (CID 2103318) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-methylthiophene-2-carboxylate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-methylthiophene-2-carboxylate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-methylthiophene-2-carboxylate is Cc1ccsc1C(=O)OCc1nnc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-methylthiophene-2-carboxylate?
The InChIKey is KHZYHKDTGTYWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-10-7-8-21-13(10)15(18)19-9-12-16-17-14(20-12)11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-methylthiophene-2-carboxylate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-methylthiophene-2-carboxylate has a molecular weight of 300.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2103318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).