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

C14H22N4O2 — CID 86792835

IUPACN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide
SMILESCn1c(CNC(=O)C2CCCOC2)nnc1C1CCC1
InChIInChI=1S/C14H22N4O2/c1-18-12(16-17-13(18)10-4-2-5-10)8-15-14(19)11-6-3-7-20-9-11/h10-11H,2-9H2,1H3,(H,15,19)
InChIKeyMVXFWEVHUZSRCE-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.13
Rot. Bonds4

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

N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide (PubChem CID 86792835) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide
PubChem CID86792835
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide
SMILESCn1c(CNC(=O)C2CCCOC2)nnc1C1CCC1
InChIInChI=1S/C14H22N4O2/c1-18-12(16-17-13(18)10-4-2-5-10)8-15-14(19)11-6-3-7-20-9-11/h10-11H,2-9H2,1H3,(H,15,19)
InChIKeyMVXFWEVHUZSRCE-UHFFFAOYSA-N
XLogP1.13
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide?
The IUPAC name of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide (CID 86792835) is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide.
What is the SMILES notation for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide?
The canonical SMILES for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide is Cn1c(CNC(=O)C2CCCOC2)nnc1C1CCC1.
What is the InChIKey of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide?
The InChIKey is MVXFWEVHUZSRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-18-12(16-17-13(18)10-4-2-5-10)8-15-14(19)11-6-3-7-20-9-11/h10-11H,2-9H2,1H3,(H,15,19).
What are the key properties of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide?
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide is sourced from PubChem (CID 86792835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).