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

C14H16N8O2 — CID 118796031

IUPACN-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-(tetrazol-1-yl)butanamide
SMILESCC(NC(=O)CCCn1cnnn1)c1nc(-c2ccccn2)no1
InChIInChI=1S/C14H16N8O2/c1-10(17-12(23)6-4-8-22-9-16-20-21-22)14-18-13(19-24-14)11-5-2-3-7-15-11/h2-3,5,7,9-10H,4,6,8H2,1H3,(H,17,23)
InChIKeyIOAFLCWRIMURTG-UHFFFAOYSA-N
MW328.34 g/mol
LogP0.78
Rot. Bonds7

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

N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-(tetrazol-1-yl)butanamide (PubChem CID 118796031) has the molecular formula C14H16N8O2 and a molecular weight of 328.34 g/mol. Its IUPAC name is N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-(tetrazol-1-yl)butanamide
PubChem CID118796031
Molecular FormulaC14H16N8O2
Molecular Weight328.34 g/mol
Exact Mass328.14
IUPAC NameN-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-(tetrazol-1-yl)butanamide
SMILESCC(NC(=O)CCCn1cnnn1)c1nc(-c2ccccn2)no1
InChIInChI=1S/C14H16N8O2/c1-10(17-12(23)6-4-8-22-9-16-20-21-22)14-18-13(19-24-14)11-5-2-3-7-15-11/h2-3,5,7,9-10H,4,6,8H2,1H3,(H,17,23)
InChIKeyIOAFLCWRIMURTG-UHFFFAOYSA-N
XLogP0.78
TPSA124.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-(5-methyltetrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 118788261
3-phenyl-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 93072769
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 91787339
3-pyridin-2-yl-5-(tetrazol-1-ylmethyl)-1,2,4-oxadiazole
CID 75370384
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101557
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 125440529
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 125440530
N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 125439324
1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 118795980
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101346
N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101380
(2R)-4-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119363928

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-(tetrazol-1-yl)butanamide?
The IUPAC name of N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-(tetrazol-1-yl)butanamide (CID 118796031) is N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-(tetrazol-1-yl)butanamide is CC(NC(=O)CCCn1cnnn1)c1nc(-c2ccccn2)no1.
What is the InChIKey of N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-(tetrazol-1-yl)butanamide?
The InChIKey is IOAFLCWRIMURTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8O2/c1-10(17-12(23)6-4-8-22-9-16-20-21-22)14-18-13(19-24-14)11-5-2-3-7-15-11/h2-3,5,7,9-10H,4,6,8H2,1H3,(H,17,23).
What are the key properties of N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-(tetrazol-1-yl)butanamide?
N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-(tetrazol-1-yl)butanamide has a molecular weight of 328.34 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 118796031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).