4,5-dimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide

C18H17N7O2S — CID 125432731

IUPAC4,5-dimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
SMILESCc1sc(-n2cnnn2)c(C(=O)NCCc2nc(-c3ccccc3)no2)c1C
InChIInChI=1S/C18H17N7O2S/c1-11-12(2)28-18(25-10-20-23-24-25)15(11)17(26)19-9-8-14-21-16(22-27-14)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,19,26)
InChIKeyDIWDMFIUSWVART-UHFFFAOYSA-N
MW395.45 g/mol
LogP2.36
Rot. Bonds6

About 4,5-dimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide

4,5-dimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide (PubChem CID 125432731) has the molecular formula C18H17N7O2S and a molecular weight of 395.45 g/mol. Its IUPAC name is 4,5-dimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
PubChem CID125432731
Molecular FormulaC18H17N7O2S
Molecular Weight395.45 g/mol
Exact Mass395.12
IUPAC Name4,5-dimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
SMILESCc1sc(-n2cnnn2)c(C(=O)NCCc2nc(-c3ccccc3)no2)c1C
InChIInChI=1S/C18H17N7O2S/c1-11-12(2)28-18(25-10-20-23-24-25)15(11)17(26)19-9-8-14-21-16(22-27-14)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,19,26)
InChIKeyDIWDMFIUSWVART-UHFFFAOYSA-N
XLogP2.36
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4,5-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 125432851
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CID 125433878
4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 125432810
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
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2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
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2,3,4-trifluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 110323311
3,5,7-trimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide
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5-bromo-3-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
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2-(2-methylphenoxy)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 39835008
2,4-dichloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide (CID 125432731) is 4,5-dimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide is Cc1sc(-n2cnnn2)c(C(=O)NCCc2nc(-c3ccccc3)no2)c1C.
What is the InChIKey of 4,5-dimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The InChIKey is DIWDMFIUSWVART-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2S/c1-11-12(2)28-18(25-10-20-23-24-25)15(11)17(26)19-9-8-14-21-16(22-27-14)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,19,26).
What are the key properties of 4,5-dimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide?
4,5-dimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide has a molecular weight of 395.45 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide is sourced from PubChem (CID 125432731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).