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

C15H17ClN4O2 — CID 74230318

IUPAC2-[1-(3-chlorophenyl)-5-(oxolan-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide
SMILESNC(=O)Cc1nc(CC2CCOC2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C15H17ClN4O2/c16-11-2-1-3-12(7-11)20-15(6-10-4-5-22-9-10)18-14(19-20)8-13(17)21/h1-3,7,10H,4-6,8-9H2,(H2,17,21)
InChIKeyXRASEGDFRKNWCC-UHFFFAOYSA-N
MW320.78 g/mol
LogP1.53
Rot. Bonds5

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

2-[1-(3-chlorophenyl)-5-(oxolan-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 74230318) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)-5-(oxolan-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)-5-(oxolan-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide
PubChem CID74230318
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name2-[1-(3-chlorophenyl)-5-(oxolan-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide
SMILESNC(=O)Cc1nc(CC2CCOC2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C15H17ClN4O2/c16-11-2-1-3-12(7-11)20-15(6-10-4-5-22-9-10)18-14(19-20)8-13(17)21/h1-3,7,10H,4-6,8-9H2,(H2,17,21)
InChIKeyXRASEGDFRKNWCC-UHFFFAOYSA-N
XLogP1.53
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[[(3S)-oxolan-3-yl]methyl]-1-propyl-1,2,4-triazol-3-yl]acetamide
CID 97455270
2-[1-[(4-methoxyphenyl)methyl]-5-(oxan-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide
CID 131928681
1-(3-chlorophenyl)-4-(oxolan-3-ylmethyl)pyrazine-2,3-dione
CID 163358266
2-[5-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-1-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]acetamide
CID 133125692
1-(3-chlorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine
CID 79505504
1-(3-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethanone
CID 54976813
2-[3-chloro-N-(oxolan-3-ylmethyl)anilino]acetic acid
CID 61311488
[3-(3,5-dimethylpyrazol-1-yl)phenyl]-[6-(isoquinolin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 110149173
2-[6-[(2-chlorophenyl)methyl]-1,4-oxazepan-4-yl]acetamide
CID 102604202
[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 78802038
2-methyl-6-[5-(oxolan-3-ylmethyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]-1,3-benzothiazole
CID 72879481
3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine
CID 103058539

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)-5-(oxolan-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)-5-(oxolan-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide (CID 74230318) is 2-[1-(3-chlorophenyl)-5-(oxolan-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)-5-(oxolan-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)-5-(oxolan-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide is NC(=O)Cc1nc(CC2CCOC2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[1-(3-chlorophenyl)-5-(oxolan-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is XRASEGDFRKNWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c16-11-2-1-3-12(7-11)20-15(6-10-4-5-22-9-10)18-14(19-20)8-13(17)21/h1-3,7,10H,4-6,8-9H2,(H2,17,21).
What are the key properties of 2-[1-(3-chlorophenyl)-5-(oxolan-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide?
2-[1-(3-chlorophenyl)-5-(oxolan-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 320.78 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)-5-(oxolan-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 74230318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).