azepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone

C17H22N2O2 — CID 97465776

IUPACazepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone
SMILESC[C@]1(C(=O)N2CCCCCC2)CC(c2ccccc2)=NO1
InChIInChI=1S/C17H22N2O2/c1-17(16(20)19-11-7-2-3-8-12-19)13-15(18-21-17)14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-13H2,1H3/t17-/m1/s1
InChIKeyYRPUPCNTICHTEP-QGZVFWFLSA-N
MW286.37 g/mol
LogP2.97
Rot. Bonds2

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

azepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone (PubChem CID 97465776) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is azepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone
PubChem CID97465776
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Nameazepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone
SMILESC[C@]1(C(=O)N2CCCCCC2)CC(c2ccccc2)=NO1
InChIInChI=1S/C17H22N2O2/c1-17(16(20)19-11-7-2-3-8-12-19)13-15(18-21-17)14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-13H2,1H3/t17-/m1/s1
InChIKeyYRPUPCNTICHTEP-QGZVFWFLSA-N
XLogP2.97
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 171133409
[(5S)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 97465323
[(5S)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 97465759
(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-(2-methylpiperidin-1-yl)methanone
CID 91945972
(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051942
(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate
CID 7446724
5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 53016965
[3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 102551798
[(5S)-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 100815726
(5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051944
[(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 97465565
[3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 91946028

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone?
The IUPAC name of azepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone (CID 97465776) is azepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for azepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone?
The canonical SMILES for azepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone is C[C@]1(C(=O)N2CCCCCC2)CC(c2ccccc2)=NO1.
What is the InChIKey of azepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone?
The InChIKey is YRPUPCNTICHTEP-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(16(20)19-11-7-2-3-8-12-19)13-15(18-21-17)14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-13H2,1H3/t17-/m1/s1.
What are the key properties of azepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone?
azepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone has a molecular weight of 286.37 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 97465776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).