5-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole

C19H21N5O2 — CID 136531426

IUPAC5-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole
SMILESCC1(Cn2cc(-c3nc(C4(c5ccccc5)CCC4)no3)nn2)COC1
InChIInChI=1S/C19H21N5O2/c1-18(12-25-13-18)11-24-10-15(21-23-24)16-20-17(22-26-16)19(8-5-9-19)14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11-13H2,1H3
InChIKeyJADGKFBIUZFJCV-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.83
Rot. Bonds5

About 5-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole

5-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole (PubChem CID 136531426) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole
PubChem CID136531426
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name5-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole
SMILESCC1(Cn2cc(-c3nc(C4(c5ccccc5)CCC4)no3)nn2)COC1
InChIInChI=1S/C19H21N5O2/c1-18(12-25-13-18)11-24-10-15(21-23-24)16-20-17(22-26-16)19(8-5-9-19)14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11-13H2,1H3
InChIKeyJADGKFBIUZFJCV-UHFFFAOYSA-N
XLogP2.83
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole (CID 136531426) is 5-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole is CC1(Cn2cc(-c3nc(C4(c5ccccc5)CCC4)no3)nn2)COC1.
What is the InChIKey of 5-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole?
The InChIKey is JADGKFBIUZFJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-18(12-25-13-18)11-24-10-15(21-23-24)16-20-17(22-26-16)19(8-5-9-19)14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11-13H2,1H3.
What are the key properties of 5-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole?
5-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole has a molecular weight of 351.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole is sourced from PubChem (CID 136531426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).