N-[[3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide

C18H17N5O2S — CID 22586354

IUPACN-[[3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
SMILESCCCn1cnc2cc(-c3noc(CNC(=O)c4cccs4)n3)ccc21
InChIInChI=1S/C18H17N5O2S/c1-2-7-23-11-20-13-9-12(5-6-14(13)23)17-21-16(25-22-17)10-19-18(24)15-4-3-8-26-15/h3-6,8-9,11H,2,7,10H2,1H3,(H,19,24)
InChIKeyRKIFWUJPPYBGEY-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.49
Rot. Bonds6

About N-[[3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide

N-[[3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 22586354) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[[3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
PubChem CID22586354
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-[[3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
SMILESCCCn1cnc2cc(-c3noc(CNC(=O)c4cccs4)n3)ccc21
InChIInChI=1S/C18H17N5O2S/c1-2-7-23-11-20-13-9-12(5-6-14(13)23)17-21-16(25-22-17)10-19-18(24)15-4-3-8-26-15/h3-6,8-9,11H,2,7,10H2,1H3,(H,19,24)
InChIKeyRKIFWUJPPYBGEY-UHFFFAOYSA-N
XLogP3.49
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide (CID 22586354) is N-[[3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide is CCCn1cnc2cc(-c3noc(CNC(=O)c4cccs4)n3)ccc21.
What is the InChIKey of N-[[3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is RKIFWUJPPYBGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-2-7-23-11-20-13-9-12(5-6-14(13)23)17-21-16(25-22-17)10-19-18(24)15-4-3-8-26-15/h3-6,8-9,11H,2,7,10H2,1H3,(H,19,24).
What are the key properties of N-[[3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
N-[[3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 22586354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).