(2R)-2-methyl-5-phenyl-4-oxa-6-azatricyclo[6.5.0.02,6]tridecan-7-one

C18H23NO2 — CID 54242371

IUPAC(2R)-2-methyl-5-phenyl-4-oxa-6-azatricyclo[6.5.0.02,6]tridecan-7-one
SMILESC[C@@]12COC(c3ccccc3)N1C(=O)C1CCCCCC12
InChIInChI=1S/C18H23NO2/c1-18-12-21-17(13-8-4-2-5-9-13)19(18)16(20)14-10-6-3-7-11-15(14)18/h2,4-5,8-9,14-15,17H,3,6-7,10-12H2,1H3/t14?,15?,17?,18-/m0/s1
InChIKeyQQXJESIWGCRQRD-CSQARDAQSA-N
MW285.39 g/mol
LogP3.51
Rot. Bonds1

About (2R)-2-methyl-5-phenyl-4-oxa-6-azatricyclo[6.5.0.02,6]tridecan-7-one

(2R)-2-methyl-5-phenyl-4-oxa-6-azatricyclo[6.5.0.02,6]tridecan-7-one (PubChem CID 54242371) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2R)-2-methyl-5-phenyl-4-oxa-6-azatricyclo[6.5.0.02,6]tridecan-7-one.

Molecular Properties

Compound Name(2R)-2-methyl-5-phenyl-4-oxa-6-azatricyclo[6.5.0.02,6]tridecan-7-one
PubChem CID54242371
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(2R)-2-methyl-5-phenyl-4-oxa-6-azatricyclo[6.5.0.02,6]tridecan-7-one
SMILESC[C@@]12COC(c3ccccc3)N1C(=O)C1CCCCCC12
InChIInChI=1S/C18H23NO2/c1-18-12-21-17(13-8-4-2-5-9-13)19(18)16(20)14-10-6-3-7-11-15(14)18/h2,4-5,8-9,14-15,17H,3,6-7,10-12H2,1H3/t14?,15?,17?,18-/m0/s1
InChIKeyQQXJESIWGCRQRD-CSQARDAQSA-N
XLogP3.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(7aR)-6,7-dimethyl-7a-(oxomethyl)-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;rutherfordium
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(7aS)-7a-(aminomethyl)-6,7-dimethyl-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
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(3R,7aS)-7a-[(1R)-1-hydroxy-2-methylpropyl]-6-methyl-3-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]oxazol-5-one
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4-cyclohexyl-3,5-diphenyl-1,2,4-dioxazolidine
CID 10335511
(3S,6R,8R,10S,11S,12R,14R)-2,2,6-trimethyl-12-phenyl-9-oxa-1-azatetracyclo[8.5.0.03,8.011,14]pentadecan-15-one
CID 10882333

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-5-phenyl-4-oxa-6-azatricyclo[6.5.0.02,6]tridecan-7-one?
The IUPAC name of (2R)-2-methyl-5-phenyl-4-oxa-6-azatricyclo[6.5.0.02,6]tridecan-7-one (CID 54242371) is (2R)-2-methyl-5-phenyl-4-oxa-6-azatricyclo[6.5.0.02,6]tridecan-7-one.
What is the SMILES notation for (2R)-2-methyl-5-phenyl-4-oxa-6-azatricyclo[6.5.0.02,6]tridecan-7-one?
The canonical SMILES for (2R)-2-methyl-5-phenyl-4-oxa-6-azatricyclo[6.5.0.02,6]tridecan-7-one is C[C@@]12COC(c3ccccc3)N1C(=O)C1CCCCCC12.
What is the InChIKey of (2R)-2-methyl-5-phenyl-4-oxa-6-azatricyclo[6.5.0.02,6]tridecan-7-one?
The InChIKey is QQXJESIWGCRQRD-CSQARDAQSA-N. The full InChI is InChI=1S/C18H23NO2/c1-18-12-21-17(13-8-4-2-5-9-13)19(18)16(20)14-10-6-3-7-11-15(14)18/h2,4-5,8-9,14-15,17H,3,6-7,10-12H2,1H3/t14?,15?,17?,18-/m0/s1.
What are the key properties of (2R)-2-methyl-5-phenyl-4-oxa-6-azatricyclo[6.5.0.02,6]tridecan-7-one?
(2R)-2-methyl-5-phenyl-4-oxa-6-azatricyclo[6.5.0.02,6]tridecan-7-one has a molecular weight of 285.39 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-5-phenyl-4-oxa-6-azatricyclo[6.5.0.02,6]tridecan-7-one is sourced from PubChem (CID 54242371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).