azocan-1-yl-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone

C21H22N2O2 — CID 46087244

IUPACazocan-1-yl-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccc3ccccc3c2)on1)N1CCCCCCC1
InChIInChI=1S/C21H22N2O2/c24-21(23-12-6-2-1-3-7-13-23)19-15-20(25-22-19)18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14-15H,1-3,6-7,12-13H2
InChIKeyTUGSZEBAYFAIHJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.90
Rot. Bonds2

About azocan-1-yl-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone

azocan-1-yl-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 46087244) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is azocan-1-yl-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID46087244
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Nameazocan-1-yl-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccc3ccccc3c2)on1)N1CCCCCCC1
InChIInChI=1S/C21H22N2O2/c24-21(23-12-6-2-1-3-7-13-23)19-15-20(25-22-19)18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14-15H,1-3,6-7,12-13H2
InChIKeyTUGSZEBAYFAIHJ-UHFFFAOYSA-N
XLogP4.90
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone
CID 135573124
[(2R)-2-ethylpiperidin-1-yl]-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone
CID 92761255
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 22427421
[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51264852
(3S)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119113731
5-naphthalen-2-yl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 46087304
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 90510455
1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 1093757
[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78862422
4-hydroxy-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylic acid
CID 119251838
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 17011323
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-[5-[4-(6-hydroxynaphthalen-2-yl)phenyl]-1,2-oxazol-3-yl]methanone
CID 172894617

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of azocan-1-yl-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone (CID 46087244) is azocan-1-yl-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for azocan-1-yl-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for azocan-1-yl-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2ccc3ccccc3c2)on1)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is TUGSZEBAYFAIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-21(23-12-6-2-1-3-7-13-23)19-15-20(25-22-19)18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14-15H,1-3,6-7,12-13H2.
What are the key properties of azocan-1-yl-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone?
azocan-1-yl-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 334.42 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 46087244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).