phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone

C20H18N2O2 — CID 134837067

IUPACphenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone
SMILESO=C(c1ccccc1)N1CC2CC1C1C(c3ccccc3)=NOC21
InChIInChI=1S/C20H18N2O2/c23-20(14-9-5-2-6-10-14)22-12-15-11-16(22)17-18(21-24-19(15)17)13-7-3-1-4-8-13/h1-10,15-17,19H,11-12H2
InChIKeyBKPJSAYEDWBVIQ-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.95
Rot. Bonds2

About phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone

phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone (PubChem CID 134837067) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone.

Molecular Properties

Compound Namephenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone
PubChem CID134837067
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Namephenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone
SMILESO=C(c1ccccc1)N1CC2CC1C1C(c3ccccc3)=NOC21
InChIInChI=1S/C20H18N2O2/c23-20(14-9-5-2-6-10-14)22-12-15-11-16(22)17-18(21-24-19(15)17)13-7-3-1-4-8-13/h1-10,15-17,19H,11-12H2
InChIKeyBKPJSAYEDWBVIQ-UHFFFAOYSA-N
XLogP2.95
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-[(1R,2R,6R,7S)-5-phenyl-3,8-dioxa-4,9-diazatricyclo[5.2.2.02,6]undec-4-en-9-yl]methanone
CID 24756194
[(1R,2R,6R,7S)-5-anthracen-9-yl-3,8-dioxa-4,9-diazatricyclo[5.2.1.02,6]dec-4-en-9-yl]-phenylmethanone
CID 122403156
methyl (1S,2R,6R,7S,9R)-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene-9-carboxylate
CID 101103593
phenyl-[(1R,2R,6R,7S)-5-quinolin-2-yl-3,8-dioxa-4,9-diazatricyclo[5.2.1.02,6]dec-4-en-9-yl]methanone
CID 71814236
9-ethyl-5-phenyl-3-oxa-4,9-diazatricyclo[5.2.1.02,6]dec-4-en-8-one
CID 134857570
[(1R,4R,6S,7R)-6,7-dibromo-2-azabicyclo[2.2.1]heptan-2-yl]-phenylmethanone
CID 11864269
[(3aS,4R,6S,6aR)-4-amino-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-yl]methanol
CID 102386839
(1R,5S,6R,7S)-6,7-dichloro-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene
CID 23270346
(1S,2R,6R,8S)-5,9-diphenyl-3,11-dioxa-7λ6-thia-4,10-diazatricyclo[6.3.0.02,6]undeca-4,9-diene 7,7-dioxide
CID 27242942
N-[(3aS,4S,6R,6aR)-6-formyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-yl]acetamide
CID 11601493
(1S,2S,6S,7S,8R)-5-phenyl-8-phenylmethoxy-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
CID 101103588
phenyl-[(4R)-5-(4-phenylphthalazin-1-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]methanone
CID 66908606

Frequently Asked Questions

What is the IUPAC name of phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone?
The IUPAC name of phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone (CID 134837067) is phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone.
What is the SMILES notation for phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone?
The canonical SMILES for phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone is O=C(c1ccccc1)N1CC2CC1C1C(c3ccccc3)=NOC21.
What is the InChIKey of phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone?
The InChIKey is BKPJSAYEDWBVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-20(14-9-5-2-6-10-14)22-12-15-11-16(22)17-18(21-24-19(15)17)13-7-3-1-4-8-13/h1-10,15-17,19H,11-12H2.
What are the key properties of phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone?
phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone has a molecular weight of 318.38 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone is sourced from PubChem (CID 134837067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).