N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide

C18H15N7O2 — CID 70763046

IUPACN-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCN(Cc1nc(-c2ccccn2)no1)C(=O)c1ccccc1-c1ncn[nH]1
InChIInChI=1S/C18H15N7O2/c1-25(10-15-22-17(24-27-15)14-8-4-5-9-19-14)18(26)13-7-3-2-6-12(13)16-20-11-21-23-16/h2-9,11H,10H2,1H3,(H,20,21,23)
InChIKeyORCXJGBRKRFRCW-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.19
Rot. Bonds5

About N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide

N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 70763046) has the molecular formula C18H15N7O2 and a molecular weight of 361.37 g/mol. Its IUPAC name is N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID70763046
Molecular FormulaC18H15N7O2
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC NameN-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCN(Cc1nc(-c2ccccn2)no1)C(=O)c1ccccc1-c1ncn[nH]1
InChIInChI=1S/C18H15N7O2/c1-25(10-15-22-17(24-27-15)14-8-4-5-9-19-14)18(26)13-7-3-2-6-12(13)16-20-11-21-23-16/h2-9,11H,10H2,1H3,(H,20,21,23)
InChIKeyORCXJGBRKRFRCW-UHFFFAOYSA-N
XLogP2.19
TPSA113.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

N-methyl-3-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 50984748
4-acetamido-2-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 131904550
5-ethyl-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-oxazole-4-carboxamide
CID 70740997
N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-thiophen-2-ylbutanamide
CID 70765176
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 97197907
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46430303
N-(2-indol-1-ylethyl)-N-methyl-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 74251180
3-(2,4-difluorophenyl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 70771980
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70756620
2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide
CID 134714053
N,2,2,6,6-pentamethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 42191280

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide (CID 70763046) is N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide is CN(Cc1nc(-c2ccccn2)no1)C(=O)c1ccccc1-c1ncn[nH]1.
What is the InChIKey of N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is ORCXJGBRKRFRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O2/c1-25(10-15-22-17(24-27-15)14-8-4-5-9-19-14)18(26)13-7-3-2-6-12(13)16-20-11-21-23-16/h2-9,11H,10H2,1H3,(H,20,21,23).
What are the key properties of N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 361.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 70763046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).