azepan-1-yl-(5-phenyl-1,2-oxazol-3-yl)methanone

C16H18N2O2 — CID 1093742

IUPACazepan-1-yl-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)on1)N1CCCCCC1
InChIInChI=1S/C16H18N2O2/c19-16(18-10-6-1-2-7-11-18)14-12-15(20-17-14)13-8-4-3-5-9-13/h3-5,8-9,12H,1-2,6-7,10-11H2
InChIKeyADWPRLOIYFKEMP-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.36
Rot. Bonds2

About azepan-1-yl-(5-phenyl-1,2-oxazol-3-yl)methanone

azepan-1-yl-(5-phenyl-1,2-oxazol-3-yl)methanone (PubChem CID 1093742) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is azepan-1-yl-(5-phenyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(5-phenyl-1,2-oxazol-3-yl)methanone
PubChem CID1093742
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Nameazepan-1-yl-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)on1)N1CCCCCC1
InChIInChI=1S/C16H18N2O2/c19-16(18-10-6-1-2-7-11-18)14-12-15(20-17-14)13-8-4-3-5-9-13/h3-5,8-9,12H,1-2,6-7,10-11H2
InChIKeyADWPRLOIYFKEMP-UHFFFAOYSA-N
XLogP3.36
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
Morpholin-4-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093793
5-(4-Methoxyphenyl)-3-[(pyrrolidin-1-yl)carbonyl]-1,2-oxazole
CID 6619182
5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 3243805
Tert-butyl 3-(3-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)isoxazol-5-yl)phenylcarbamate
CID 24951312
5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 118557322
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093787
Azepan-1-yl-[5-(2,4-dichloro-phenyl)-isoxazol-3-yl]-methanone
CID 1093827
5-(2-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 1093865
8-{[5-(4-Methylphenyl)-3-isoxazolyl]carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
CID 1249903
5-(4-chlorophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 6619223

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(5-phenyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of azepan-1-yl-(5-phenyl-1,2-oxazol-3-yl)methanone (CID 1093742) is azepan-1-yl-(5-phenyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for azepan-1-yl-(5-phenyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for azepan-1-yl-(5-phenyl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2ccccc2)on1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(5-phenyl-1,2-oxazol-3-yl)methanone?
The InChIKey is ADWPRLOIYFKEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(18-10-6-1-2-7-11-18)14-12-15(20-17-14)13-8-4-3-5-9-13/h3-5,8-9,12H,1-2,6-7,10-11H2.
What are the key properties of azepan-1-yl-(5-phenyl-1,2-oxazol-3-yl)methanone?
azepan-1-yl-(5-phenyl-1,2-oxazol-3-yl)methanone has a molecular weight of 270.33 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(5-phenyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 1093742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).