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

C14H15N7O2 — CID 91843379

IUPACN-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(NC(=O)CCn1cncn1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C14H15N7O2/c1-10(18-12(22)4-7-21-9-16-8-17-21)14-19-13(20-23-14)11-2-5-15-6-3-11/h2-3,5-6,8-10H,4,7H2,1H3,(H,18,22)
InChIKeyWFCKQJQEWNTPKI-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.99
Rot. Bonds6

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

N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 91843379) has the molecular formula C14H15N7O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID91843379
Molecular FormulaC14H15N7O2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC NameN-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(NC(=O)CCn1cncn1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C14H15N7O2/c1-10(18-12(22)4-7-21-9-16-8-17-21)14-19-13(20-23-14)11-2-5-15-6-3-11/h2-3,5-6,8-10H,4,7H2,1H3,(H,18,22)
InChIKeyWFCKQJQEWNTPKI-UHFFFAOYSA-N
XLogP0.99
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 91843379) is N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide is CC(NC(=O)CCn1cncn1)c1nc(-c2ccncc2)no1.
What is the InChIKey of N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is WFCKQJQEWNTPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2/c1-10(18-12(22)4-7-21-9-16-8-17-21)14-19-13(20-23-14)11-2-5-15-6-3-11/h2-3,5-6,8-10H,4,7H2,1H3,(H,18,22).
What are the key properties of N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 313.32 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 91843379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).