2-(2-ethyloxan-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide

C17H22N4O2 — CID 122138735

IUPAC2-(2-ethyloxan-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide
SMILESCCC1CC(CC(=O)Nc2cccc(-c3ncn[nH]3)c2)CCO1
InChIInChI=1S/C17H22N4O2/c1-2-15-8-12(6-7-23-15)9-16(22)20-14-5-3-4-13(10-14)17-18-11-19-21-17/h3-5,10-12,15H,2,6-9H2,1H3,(H,20,22)(H,18,19,21)
InChIKeyNYBLCKGRFBHPJQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.01
Rot. Bonds5

About 2-(2-ethyloxan-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide

2-(2-ethyloxan-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide (PubChem CID 122138735) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(2-ethyloxan-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyloxan-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide
PubChem CID122138735
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(2-ethyloxan-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide
SMILESCCC1CC(CC(=O)Nc2cccc(-c3ncn[nH]3)c2)CCO1
InChIInChI=1S/C17H22N4O2/c1-2-15-8-12(6-7-23-15)9-16(22)20-14-5-3-4-13(10-14)17-18-11-19-21-17/h3-5,10-12,15H,2,6-9H2,1H3,(H,20,22)(H,18,19,21)
InChIKeyNYBLCKGRFBHPJQ-UHFFFAOYSA-N
XLogP3.01
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R,4S)-2-ethyloxan-4-yl]-N-(3-phenyl-2-pyridinyl)acetamide
CID 124885437
2-cyclopropyl-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
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2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride
CID 119871925
2-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
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3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
CID 91822742
N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
CID 136525639
(2S)-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
CID 129381815
3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
CID 91820890
3-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
CID 142662883
N-[3-(4-aminoquinazolin-6-yl)phenyl]-2-(oxolan-2-yl)acetamide
CID 90055031
1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea
CID 11187101
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyloxan-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(2-ethyloxan-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide (CID 122138735) is 2-(2-ethyloxan-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-ethyloxan-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-ethyloxan-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide is CCC1CC(CC(=O)Nc2cccc(-c3ncn[nH]3)c2)CCO1.
What is the InChIKey of 2-(2-ethyloxan-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide?
The InChIKey is NYBLCKGRFBHPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-15-8-12(6-7-23-15)9-16(22)20-14-5-3-4-13(10-14)17-18-11-19-21-17/h3-5,10-12,15H,2,6-9H2,1H3,(H,20,22)(H,18,19,21).
What are the key properties of 2-(2-ethyloxan-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide?
2-(2-ethyloxan-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyloxan-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 122138735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).