N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C14H18N6O3 — CID 91796673

IUPACN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NC1CC(c2nnc(CO)n2C2CC2)C1
InChIInChI=1S/C14H18N6O3/c1-7-12(19-23-18-7)14(22)15-9-4-8(5-9)13-17-16-11(6-21)20(13)10-2-3-10/h8-10,21H,2-6H2,1H3,(H,15,22)
InChIKeyBKVIWHKLGJRIMI-UHFFFAOYSA-N
MW318.34 g/mol
LogP0.47
Rot. Bonds5

About N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 91796673) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID91796673
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NC1CC(c2nnc(CO)n2C2CC2)C1
InChIInChI=1S/C14H18N6O3/c1-7-12(19-23-18-7)14(22)15-9-4-8(5-9)13-17-16-11(6-21)20(13)10-2-3-10/h8-10,21H,2-6H2,1H3,(H,15,22)
InChIKeyBKVIWHKLGJRIMI-UHFFFAOYSA-N
XLogP0.47
TPSA118.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 91796673) is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)NC1CC(c2nnc(CO)n2C2CC2)C1.
What is the InChIKey of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is BKVIWHKLGJRIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3/c1-7-12(19-23-18-7)14(22)15-9-4-8(5-9)13-17-16-11(6-21)20(13)10-2-3-10/h8-10,21H,2-6H2,1H3,(H,15,22).
What are the key properties of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 91796673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).