azepan-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone

C17H20N2O2 — CID 1093787

IUPACazepan-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCCCC3)no2)cc1
InChIInChI=1S/C17H20N2O2/c1-13-6-8-14(9-7-13)16-12-15(18-21-16)17(20)19-10-4-2-3-5-11-19/h6-9,12H,2-5,10-11H2,1H3
InChIKeyQGZPNUGWIAAZNY-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.67
Rot. Bonds2

About azepan-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone

azepan-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone (PubChem CID 1093787) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is azepan-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
PubChem CID1093787
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Nameazepan-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCCCC3)no2)cc1
InChIInChI=1S/C17H20N2O2/c1-13-6-8-14(9-7-13)16-12-15(18-21-16)17(20)19-10-4-2-3-5-11-19/h6-9,12H,2-5,10-11H2,1H3
InChIKeyQGZPNUGWIAAZNY-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

1-Propyl-5-(3-p-tolylisoxazol-5-yl)-1,2,3,6-tetrahydropyridine
CID 9817231
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-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 3243805
5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 118557322
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
Azepan-1-yl-[5-(2,4-dichloro-phenyl)-isoxazol-3-yl]-methanone
CID 1093827
8-{[5-(4-Methylphenyl)-3-isoxazolyl]carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
CID 1249903
N-cyclopentyl-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 17252686
5-Phenylisoxazol-3-yl 4-phenylpiperazinyl ketone
CID 1250455
N-[3-(4-morpholinyl)propyl]-5-phenyl-3-isoxazolecarboxamide
CID 2217157

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of azepan-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone (CID 1093787) is azepan-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCCCCC3)no2)cc1.
What is the InChIKey of azepan-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is QGZPNUGWIAAZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-6-8-14(9-7-13)16-12-15(18-21-16)17(20)19-10-4-2-3-5-11-19/h6-9,12H,2-5,10-11H2,1H3.
What are the key properties of azepan-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone?
azepan-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-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-(4-methylphenyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 1093787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).