2-(4-chlorophenyl)-N-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]acetamide

C15H17ClN4O2 — CID 126823384

IUPAC2-(4-chlorophenyl)-N-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCc1nc(C2CCCO2)n[nH]1
InChIInChI=1S/C15H17ClN4O2/c16-11-5-3-10(4-6-11)8-14(21)17-9-13-18-15(20-19-13)12-2-1-7-22-12/h3-6,12H,1-2,7-9H2,(H,17,21)(H,18,19,20)
InChIKeyAJSLQQCSYNVCNX-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.17
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]acetamide

2-(4-chlorophenyl)-N-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]acetamide (PubChem CID 126823384) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]acetamide
PubChem CID126823384
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name2-(4-chlorophenyl)-N-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCc1nc(C2CCCO2)n[nH]1
InChIInChI=1S/C15H17ClN4O2/c16-11-5-3-10(4-6-11)8-14(21)17-9-13-18-15(20-19-13)12-2-1-7-22-12/h3-6,12H,1-2,7-9H2,(H,17,21)(H,18,19,20)
InChIKeyAJSLQQCSYNVCNX-UHFFFAOYSA-N
XLogP2.17
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxy-3-methylphenyl)methyl]-1-methyl-3-[[3-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-5-yl]methyl]urea
CID 164641824
N-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-[4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 167930167
N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 124949037
N'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide
CID 5343509
2-(3-fluoro-4-methoxyphenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide
CID 110117798
2-(3-fluoro-4-methoxyphenyl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124968940
N-[(4-fluorophenyl)methyl]-2-[[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 42894228
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124950410
4-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperidine
CID 115041635
N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 110117907
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42427432

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]acetamide (CID 126823384) is 2-(4-chlorophenyl)-N-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCc1nc(C2CCCO2)n[nH]1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]acetamide?
The InChIKey is AJSLQQCSYNVCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c16-11-5-3-10(4-6-11)8-14(21)17-9-13-18-15(20-19-13)12-2-1-7-22-12/h3-6,12H,1-2,7-9H2,(H,17,21)(H,18,19,20).
What are the key properties of 2-(4-chlorophenyl)-N-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]acetamide?
2-(4-chlorophenyl)-N-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]acetamide has a molecular weight of 320.78 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]acetamide is sourced from PubChem (CID 126823384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).