3-[[3-(2-methylbenzimidazol-1-yl)propanoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide

C15H16N6O3 — CID 91765392

IUPAC3-[[3-(2-methylbenzimidazol-1-yl)propanoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1nc2ccccc2n1CCC(=O)NCc1noc(C(N)=O)n1
InChIInChI=1S/C15H16N6O3/c1-9-18-10-4-2-3-5-11(10)21(9)7-6-13(22)17-8-12-19-15(14(16)23)24-20-12/h2-5H,6-8H2,1H3,(H2,16,23)(H,17,22)
InChIKeySUETXXWGAOCFSZ-UHFFFAOYSA-N
MW328.33 g/mol
LogP0.53
Rot. Bonds6

About 3-[[3-(2-methylbenzimidazol-1-yl)propanoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide

3-[[3-(2-methylbenzimidazol-1-yl)propanoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 91765392) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is 3-[[3-(2-methylbenzimidazol-1-yl)propanoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[[3-(2-methylbenzimidazol-1-yl)propanoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID91765392
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC Name3-[[3-(2-methylbenzimidazol-1-yl)propanoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1nc2ccccc2n1CCC(=O)NCc1noc(C(N)=O)n1
InChIInChI=1S/C15H16N6O3/c1-9-18-10-4-2-3-5-11(10)21(9)7-6-13(22)17-8-12-19-15(14(16)23)24-20-12/h2-5H,6-8H2,1H3,(H2,16,23)(H,17,22)
InChIKeySUETXXWGAOCFSZ-UHFFFAOYSA-N
XLogP0.53
TPSA128.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methylbenzimidazol-1-yl)propanehydrazide
CID 4738084
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3-(2-methylbenzimidazol-1-yl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide
CID 99974647
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
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6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
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hydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate
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3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18120811
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
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(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333
3-(2-methylindol-1-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-methylbenzimidazol-1-yl)propanoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[[3-(2-methylbenzimidazol-1-yl)propanoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 91765392) is 3-[[3-(2-methylbenzimidazol-1-yl)propanoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[[3-(2-methylbenzimidazol-1-yl)propanoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[[3-(2-methylbenzimidazol-1-yl)propanoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide is Cc1nc2ccccc2n1CCC(=O)NCc1noc(C(N)=O)n1.
What is the InChIKey of 3-[[3-(2-methylbenzimidazol-1-yl)propanoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is SUETXXWGAOCFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c1-9-18-10-4-2-3-5-11(10)21(9)7-6-13(22)17-8-12-19-15(14(16)23)24-20-12/h2-5H,6-8H2,1H3,(H2,16,23)(H,17,22).
What are the key properties of 3-[[3-(2-methylbenzimidazol-1-yl)propanoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[[3-(2-methylbenzimidazol-1-yl)propanoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-methylbenzimidazol-1-yl)propanoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 91765392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).