azepan-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

C17H20N2O2 — CID 869900

IUPACazepan-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCCCCC1
InChIInChI=1S/C17H20N2O2/c1-13-15(17(20)19-11-7-2-3-8-12-19)16(18-21-13)14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-12H2,1H3
InChIKeyINUMSCPXTSJOAB-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.67
Rot. Bonds2

About azepan-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

azepan-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 869900) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is azepan-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID869900
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Nameazepan-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCCCCC1
InChIInChI=1S/C17H20N2O2/c1-13-15(17(20)19-11-7-2-3-8-12-19)16(18-21-13)14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-12H2,1H3
InChIKeyINUMSCPXTSJOAB-UHFFFAOYSA-N
XLogP3.67
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9817231
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CID 4250909
3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-methylpiperazinyl ketone
CID 798832
1-benzyl-5-(3,5-dimethylisoxazol-4-yl)pyridin-2(1H)-one
CID 76683643
[3-(2-Chloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 700029
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093787
[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 743794
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
CID 822394
5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
CID 334509
3-(2-chlorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide
CID 707574
5-Methyl-3-phenylisoxazole-4-carboxaldehyde
CID 2776144

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of azepan-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (CID 869900) is azepan-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for azepan-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for azepan-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is Cc1onc(-c2ccccc2)c1C(=O)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is INUMSCPXTSJOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-15(17(20)19-11-7-2-3-8-12-19)16(18-21-13)14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-12H2,1H3.
What are the key properties of azepan-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
azepan-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 3.67, 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-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 869900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).