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

C12H16N6O2 — CID 47089087

IUPACN-cyclopentyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ncn[nH]2)no1)NC1CCCC1
InChIInChI=1S/C12H16N6O2/c19-9(15-8-3-1-2-4-8)5-6-10-16-12(18-20-10)11-13-7-14-17-11/h7-8H,1-6H2,(H,15,19)(H,13,14,17)
InChIKeyCAHIXBCJJFYVOL-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.85
Rot. Bonds5

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

N-cyclopentyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 47089087) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-cyclopentyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID47089087
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC NameN-cyclopentyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ncn[nH]2)no1)NC1CCCC1
InChIInChI=1S/C12H16N6O2/c19-9(15-8-3-1-2-4-8)5-6-10-16-12(18-20-10)11-13-7-14-17-11/h7-8H,1-6H2,(H,15,19)(H,13,14,17)
InChIKeyCAHIXBCJJFYVOL-UHFFFAOYSA-N
XLogP0.85
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-cyclopentyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide (CID 47089087) is N-cyclopentyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-cyclopentyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide is O=C(CCc1nc(-c2ncn[nH]2)no1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is CAHIXBCJJFYVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c19-9(15-8-3-1-2-4-8)5-6-10-16-12(18-20-10)11-13-7-14-17-11/h7-8H,1-6H2,(H,15,19)(H,13,14,17).
What are the key properties of N-cyclopentyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide?
N-cyclopentyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 276.30 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 47089087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).