N-[2-(oxan-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide

C16H20N4O2 — CID 122561785

IUPACN-[2-(oxan-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(NCCC1CCCOC1)c1ccccc1-c1ncn[nH]1
InChIInChI=1S/C16H20N4O2/c21-16(17-8-7-12-4-3-9-22-10-12)14-6-2-1-5-13(14)15-18-11-19-20-15/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,21)(H,18,19,20)
InChIKeyYVDASRUVGHUKEJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.02
Rot. Bonds5

About N-[2-(oxan-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide

N-[2-(oxan-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 122561785) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[2-(oxan-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(oxan-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID122561785
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[2-(oxan-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(NCCC1CCCOC1)c1ccccc1-c1ncn[nH]1
InChIInChI=1S/C16H20N4O2/c21-16(17-8-7-12-4-3-9-22-10-12)14-6-2-1-5-13(14)15-18-11-19-20-15/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,21)(H,18,19,20)
InChIKeyYVDASRUVGHUKEJ-UHFFFAOYSA-N
XLogP2.02
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3S)-oxan-3-yl]ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 125441800
2-acetyl-N-[2-(oxan-3-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 122561636
N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 125434835
N-[2-(oxan-3-yl)ethyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 166420180
N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 74230839
methyl 2-[2-(oxan-3-yl)ethylamino]benzoate
CID 118058964
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 131927854
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 74247648
2-(2-cyclobutylethylcarbamoyl)benzoic acid
CID 113478591
N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850075
2-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
CID 56723308
N-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 94194267

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-[2-(oxan-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide (CID 122561785) is N-[2-(oxan-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(oxan-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-[2-(oxan-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide is O=C(NCCC1CCCOC1)c1ccccc1-c1ncn[nH]1.
What is the InChIKey of N-[2-(oxan-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is YVDASRUVGHUKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-16(17-8-7-12-4-3-9-22-10-12)14-6-2-1-5-13(14)15-18-11-19-20-15/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,21)(H,18,19,20).
What are the key properties of N-[2-(oxan-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
N-[2-(oxan-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 300.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 122561785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).