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

C16H13N5O2S — CID 53172668

IUPACN-[[3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
SMILESCn1cnc2ccc(-c3noc(CNC(=O)c4cccs4)n3)cc21
InChIInChI=1S/C16H13N5O2S/c1-21-9-18-11-5-4-10(7-12(11)21)15-19-14(23-20-15)8-17-16(22)13-3-2-6-24-13/h2-7,9H,8H2,1H3,(H,17,22)
InChIKeyCKLUEYKKFXXLFZ-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.61
Rot. Bonds4

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

N-[[3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 53172668) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is N-[[3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
PubChem CID53172668
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC NameN-[[3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
SMILESCn1cnc2ccc(-c3noc(CNC(=O)c4cccs4)n3)cc21
InChIInChI=1S/C16H13N5O2S/c1-21-9-18-11-5-4-10(7-12(11)21)15-19-14(23-20-15)8-17-16(22)13-3-2-6-24-13/h2-7,9H,8H2,1H3,(H,17,22)
InChIKeyCKLUEYKKFXXLFZ-UHFFFAOYSA-N
XLogP2.61
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
CID 22586361
2-(4-chlorophenyl)-N-[[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 22586334
N-[(E)-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-1-oxopropan-2-ylidene]amino]thiophene-2-carboxamide
CID 43917184
N-[[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53172597
N-[[3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
CID 46334988
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-carboxamide
CID 83289766
N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 134043002
[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117330229
3-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 110469148
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride
CID 120855723
3,5-dimethyl-4-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 134043017
N-[[3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
CID 53139190

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide (CID 53172668) is N-[[3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide is Cn1cnc2ccc(-c3noc(CNC(=O)c4cccs4)n3)cc21.
What is the InChIKey of N-[[3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is CKLUEYKKFXXLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c1-21-9-18-11-5-4-10(7-12(11)21)15-19-14(23-20-15)8-17-16(22)13-3-2-6-24-13/h2-7,9H,8H2,1H3,(H,17,22).
What are the key properties of N-[[3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
N-[[3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 339.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 53172668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).