2-naphthalen-2-yloxy-1-[3-(triazol-2-yl)azetidin-1-yl]ethanone

C17H16N4O2 — CID 131703658

IUPAC2-naphthalen-2-yloxy-1-[3-(triazol-2-yl)azetidin-1-yl]ethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CC(n2nccn2)C1
InChIInChI=1S/C17H16N4O2/c22-17(20-10-15(11-20)21-18-7-8-19-21)12-23-16-6-5-13-3-1-2-4-14(13)9-16/h1-9,15H,10-12H2
InChIKeyHHFGTWVYJPRJMA-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.89
Rot. Bonds4

About 2-naphthalen-2-yloxy-1-[3-(triazol-2-yl)azetidin-1-yl]ethanone

2-naphthalen-2-yloxy-1-[3-(triazol-2-yl)azetidin-1-yl]ethanone (PubChem CID 131703658) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-1-[3-(triazol-2-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-1-[3-(triazol-2-yl)azetidin-1-yl]ethanone
PubChem CID131703658
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-naphthalen-2-yloxy-1-[3-(triazol-2-yl)azetidin-1-yl]ethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CC(n2nccn2)C1
InChIInChI=1S/C17H16N4O2/c22-17(20-10-15(11-20)21-18-7-8-19-21)12-23-16-6-5-13-3-1-2-4-14(13)9-16/h1-9,15H,10-12H2
InChIKeyHHFGTWVYJPRJMA-UHFFFAOYSA-N
XLogP1.89
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-naphthalen-2-yloxyacetyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153963
2-(4-chlorophenoxy)-1-[3-(triazol-2-yl)pyrrolidin-1-yl]ethanone
CID 121178537
1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1333542
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
1-[(3aR,5R,6R,7aS)-5-hydroxy-6-morpholin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-naphthalen-2-yloxyethanone
CID 172669806
2-naphthalen-2-yloxy-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
CID 122251860
1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid
CID 2880120
ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
CID 846270
4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate
CID 2050458
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 121095225
1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 90594579

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-1-[3-(triazol-2-yl)azetidin-1-yl]ethanone?
The IUPAC name of 2-naphthalen-2-yloxy-1-[3-(triazol-2-yl)azetidin-1-yl]ethanone (CID 131703658) is 2-naphthalen-2-yloxy-1-[3-(triazol-2-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-naphthalen-2-yloxy-1-[3-(triazol-2-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 2-naphthalen-2-yloxy-1-[3-(triazol-2-yl)azetidin-1-yl]ethanone is O=C(COc1ccc2ccccc2c1)N1CC(n2nccn2)C1.
What is the InChIKey of 2-naphthalen-2-yloxy-1-[3-(triazol-2-yl)azetidin-1-yl]ethanone?
The InChIKey is HHFGTWVYJPRJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(20-10-15(11-20)21-18-7-8-19-21)12-23-16-6-5-13-3-1-2-4-14(13)9-16/h1-9,15H,10-12H2.
What are the key properties of 2-naphthalen-2-yloxy-1-[3-(triazol-2-yl)azetidin-1-yl]ethanone?
2-naphthalen-2-yloxy-1-[3-(triazol-2-yl)azetidin-1-yl]ethanone has a molecular weight of 308.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-1-[3-(triazol-2-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 131703658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).