3-[5-[1-(cyclopropylmethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide

C17H18N6O2 — CID 146130570

IUPAC3-[5-[1-(cyclopropylmethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2noc(-c3cn(CC4CC4)nn3)n2)c1
InChIInChI=1S/C17H18N6O2/c1-22(2)17(24)13-5-3-4-12(8-13)15-18-16(25-20-15)14-10-23(21-19-14)9-11-6-7-11/h3-5,8,10-11H,6-7,9H2,1-2H3
InChIKeyPFMARYJSVLAUHT-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.11
Rot. Bonds5

About 3-[5-[1-(cyclopropylmethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide

3-[5-[1-(cyclopropylmethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide (PubChem CID 146130570) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-[5-[1-(cyclopropylmethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[5-[1-(cyclopropylmethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide
PubChem CID146130570
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name3-[5-[1-(cyclopropylmethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2noc(-c3cn(CC4CC4)nn3)n2)c1
InChIInChI=1S/C17H18N6O2/c1-22(2)17(24)13-5-3-4-12(8-13)15-18-16(25-20-15)14-10-23(21-19-14)9-11-6-7-11/h3-5,8,10-11H,6-7,9H2,1-2H3
InChIKeyPFMARYJSVLAUHT-UHFFFAOYSA-N
XLogP2.11
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(cyclopropylmethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[5-[1-(cyclopropylmethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide (CID 146130570) is 3-[5-[1-(cyclopropylmethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[5-[1-(cyclopropylmethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[5-[1-(cyclopropylmethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2noc(-c3cn(CC4CC4)nn3)n2)c1.
What is the InChIKey of 3-[5-[1-(cyclopropylmethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide?
The InChIKey is PFMARYJSVLAUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-22(2)17(24)13-5-3-4-12(8-13)15-18-16(25-20-15)14-10-23(21-19-14)9-11-6-7-11/h3-5,8,10-11H,6-7,9H2,1-2H3.
What are the key properties of 3-[5-[1-(cyclopropylmethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide?
3-[5-[1-(cyclopropylmethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide has a molecular weight of 338.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(cyclopropylmethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 146130570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).