N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide

C14H16N4O2 — CID 18160252

IUPACN-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C14H16N4O2/c19-14(16-8-13-2-1-7-20-13)11-3-5-12(6-4-11)18-10-15-9-17-18/h3-6,9-10,13H,1-2,7-8H2,(H,16,19)
InChIKeyMHDFMPMMMHNCJZ-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.18
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide

N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 18160252) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID18160252
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C14H16N4O2/c19-14(16-8-13-2-1-7-20-13)11-3-5-12(6-4-11)18-10-15-9-17-18/h3-6,9-10,13H,1-2,7-8H2,(H,16,19)
InChIKeyMHDFMPMMMHNCJZ-UHFFFAOYSA-N
XLogP1.18
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 31532996
4-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 31532997
N-[(3-hydroxycyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 111460488
2-methyl-1-(oxolan-2-ylmethyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 111137283
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 94006565
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55734171
N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 25343764
4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42906161
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 95153393
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 100905654
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide (CID 18160252) is N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide is O=C(NCC1CCCO1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is MHDFMPMMMHNCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-14(16-8-13-2-1-7-20-13)11-3-5-12(6-4-11)18-10-15-9-17-18/h3-6,9-10,13H,1-2,7-8H2,(H,16,19).
What are the key properties of N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide?
N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 272.31 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 18160252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).