2-(oxan-3-yl)-N-(1-phenyltriazol-4-yl)acetamide

C15H18N4O2 — CID 138049586

IUPAC2-(oxan-3-yl)-N-(1-phenyltriazol-4-yl)acetamide
SMILESO=C(CC1CCCOC1)Nc1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H18N4O2/c20-15(9-12-5-4-8-21-11-12)16-14-10-19(18-17-14)13-6-2-1-3-7-13/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,16,20)
InChIKeyRNLLARLOASRCNH-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.02
Rot. Bonds4

About 2-(oxan-3-yl)-N-(1-phenyltriazol-4-yl)acetamide

2-(oxan-3-yl)-N-(1-phenyltriazol-4-yl)acetamide (PubChem CID 138049586) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(oxan-3-yl)-N-(1-phenyltriazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(oxan-3-yl)-N-(1-phenyltriazol-4-yl)acetamide
PubChem CID138049586
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-(oxan-3-yl)-N-(1-phenyltriazol-4-yl)acetamide
SMILESO=C(CC1CCCOC1)Nc1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H18N4O2/c20-15(9-12-5-4-8-21-11-12)16-14-10-19(18-17-14)13-6-2-1-3-7-13/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,16,20)
InChIKeyRNLLARLOASRCNH-UHFFFAOYSA-N
XLogP2.02
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-oxan-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 126439740
N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide
CID 110865266
N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide
CID 110862725
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide
CID 110862281
N-(1,5-dimethylpyrazol-4-yl)-2-(oxan-3-yl)acetamide
CID 134702628
N-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide
CID 110864058
N-[1-[(3-fluorophenyl)methyl]-6-oxo-3-pyridinyl]-2-(oxan-3-yl)acetamide
CID 136568049
N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-(oxan-3-yl)acetamide
CID 134702651
2-cyclobutyl-N-(1-phenylimidazol-2-yl)acetamide
CID 91653270
N-(2-methyl-6-propan-2-ylphenyl)-2-(oxan-3-yl)acetamide
CID 110858330
1-cyano-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide
CID 118980499
1-(oxan-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 61019320

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-N-(1-phenyltriazol-4-yl)acetamide?
The IUPAC name of 2-(oxan-3-yl)-N-(1-phenyltriazol-4-yl)acetamide (CID 138049586) is 2-(oxan-3-yl)-N-(1-phenyltriazol-4-yl)acetamide.
What is the SMILES notation for 2-(oxan-3-yl)-N-(1-phenyltriazol-4-yl)acetamide?
The canonical SMILES for 2-(oxan-3-yl)-N-(1-phenyltriazol-4-yl)acetamide is O=C(CC1CCCOC1)Nc1cn(-c2ccccc2)nn1.
What is the InChIKey of 2-(oxan-3-yl)-N-(1-phenyltriazol-4-yl)acetamide?
The InChIKey is RNLLARLOASRCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-15(9-12-5-4-8-21-11-12)16-14-10-19(18-17-14)13-6-2-1-3-7-13/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,16,20).
What are the key properties of 2-(oxan-3-yl)-N-(1-phenyltriazol-4-yl)acetamide?
2-(oxan-3-yl)-N-(1-phenyltriazol-4-yl)acetamide has a molecular weight of 286.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-N-(1-phenyltriazol-4-yl)acetamide is sourced from PubChem (CID 138049586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).