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

C14H24N4O2 — CID 125437324

IUPACN-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]oxane-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)C1CCOCC1)c1ncnn1C
InChIInChI=1S/C14H24N4O2/c1-10(2)8-12(13-15-9-16-18(13)3)17-14(19)11-4-6-20-7-5-11/h9-12H,4-8H2,1-3H3,(H,17,19)/t12-/m0/s1
InChIKeyAPGFZLRIJYFZDW-LBPRGKRZSA-N
MW280.37 g/mol
LogP1.45
Rot. Bonds5

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

N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]oxane-4-carboxamide (PubChem CID 125437324) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]oxane-4-carboxamide
PubChem CID125437324
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]oxane-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)C1CCOCC1)c1ncnn1C
InChIInChI=1S/C14H24N4O2/c1-10(2)8-12(13-15-9-16-18(13)3)17-14(19)11-4-6-20-7-5-11/h9-12H,4-8H2,1-3H3,(H,17,19)/t12-/m0/s1
InChIKeyAPGFZLRIJYFZDW-LBPRGKRZSA-N
XLogP1.45
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]oxane-4-carboxamide?
The IUPAC name of N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]oxane-4-carboxamide (CID 125437324) is N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]oxane-4-carboxamide?
The canonical SMILES for N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]oxane-4-carboxamide is CC(C)C[C@H](NC(=O)C1CCOCC1)c1ncnn1C.
What is the InChIKey of N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]oxane-4-carboxamide?
The InChIKey is APGFZLRIJYFZDW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(2)8-12(13-15-9-16-18(13)3)17-14(19)11-4-6-20-7-5-11/h9-12H,4-8H2,1-3H3,(H,17,19)/t12-/m0/s1.
What are the key properties of N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]oxane-4-carboxamide?
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]oxane-4-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]oxane-4-carboxamide is sourced from PubChem (CID 125437324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).