2-naphthalen-2-yloxy-1-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]ethanone

C18H19N5O2 — CID 167876282

IUPAC2-naphthalen-2-yloxy-1-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCC(Cc2nn[nH]n2)C1
InChIInChI=1S/C18H19N5O2/c24-18(23-8-7-13(11-23)9-17-19-21-22-20-17)12-25-16-6-5-14-3-1-2-4-15(14)10-16/h1-6,10,13H,7-9,11-12H2,(H,19,20,21,22)
InChIKeyUTNQXYBIIYWMRO-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.82
Rot. Bonds5

About 2-naphthalen-2-yloxy-1-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]ethanone

2-naphthalen-2-yloxy-1-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]ethanone (PubChem CID 167876282) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-1-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-1-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]ethanone
PubChem CID167876282
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-naphthalen-2-yloxy-1-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCC(Cc2nn[nH]n2)C1
InChIInChI=1S/C18H19N5O2/c24-18(23-8-7-13(11-23)9-17-19-21-22-20-17)12-25-16-6-5-14-3-1-2-4-15(14)10-16/h1-6,10,13H,7-9,11-12H2,(H,19,20,21,22)
InChIKeyUTNQXYBIIYWMRO-UHFFFAOYSA-N
XLogP1.82
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-naphthalen-2-yloxy-1-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-bromonaphthalen-2-yl)oxyethanone
CID 119411617
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
1-[1-(2-naphthalen-2-yloxyacetyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153963
2-naphthalen-2-yloxy-1-[3-(triazol-2-yl)azetidin-1-yl]ethanone
CID 131703658
1-(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-2-naphthalen-2-yloxyethanone
CID 167777037
(2-hydroxy-5-methylphenyl)-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]methanone
CID 166269968
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 62069426
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 21008002
2-[4-(hydroxymethyl)phenoxy]-1-[3-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 159728482
2-(3-bromophenoxy)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62372711

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-1-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-naphthalen-2-yloxy-1-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]ethanone (CID 167876282) is 2-naphthalen-2-yloxy-1-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-naphthalen-2-yloxy-1-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-naphthalen-2-yloxy-1-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]ethanone is O=C(COc1ccc2ccccc2c1)N1CCC(Cc2nn[nH]n2)C1.
What is the InChIKey of 2-naphthalen-2-yloxy-1-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is UTNQXYBIIYWMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-18(23-8-7-13(11-23)9-17-19-21-22-20-17)12-25-16-6-5-14-3-1-2-4-15(14)10-16/h1-6,10,13H,7-9,11-12H2,(H,19,20,21,22).
What are the key properties of 2-naphthalen-2-yloxy-1-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]ethanone?
2-naphthalen-2-yloxy-1-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 337.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-1-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 167876282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).