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

C16H19N7O2 — CID 119067084

IUPACN-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCn1ncnc1CCNC(=O)CCCc1nc(-c2cccnc2)no1
InChIInChI=1S/C16H19N7O2/c1-23-13(19-11-20-23)7-9-18-14(24)5-2-6-15-21-16(22-25-15)12-4-3-8-17-10-12/h3-4,8,10-11H,2,5-7,9H2,1H3,(H,18,24)
InChIKeyGPCLTUJUNNPETJ-UHFFFAOYSA-N
MW341.38 g/mol
LogP0.94
Rot. Bonds8

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

N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 119067084) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID119067084
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC NameN-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCn1ncnc1CCNC(=O)CCCc1nc(-c2cccnc2)no1
InChIInChI=1S/C16H19N7O2/c1-23-13(19-11-20-23)7-9-18-14(24)5-2-6-15-21-16(22-25-15)12-4-3-8-17-10-12/h3-4,8,10-11H,2,5-7,9H2,1H3,(H,18,24)
InChIKeyGPCLTUJUNNPETJ-UHFFFAOYSA-N
XLogP0.94
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70784406
N-(2-pyridin-2-ylethyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46469135
N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 91772443
4-methyl-N-[3-oxo-3-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethylamino]propyl]benzamide
CID 91772799
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 142672377
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55742229
4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 17101575
N-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46471626
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 124864434
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 50745272
N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 17101225
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 30768847

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 119067084) is N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide is Cn1ncnc1CCNC(=O)CCCc1nc(-c2cccnc2)no1.
What is the InChIKey of N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is GPCLTUJUNNPETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-23-13(19-11-20-23)7-9-18-14(24)5-2-6-15-21-16(22-25-15)12-4-3-8-17-10-12/h3-4,8,10-11H,2,5-7,9H2,1H3,(H,18,24).
What are the key properties of N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 341.38 g/mol, XLogP of 0.94, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 119067084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).