(1S)-3-methyl-10-phenyl-5-oxa-6,12-diazatetracyclo[8.4.0.01,3.04,8]tetradeca-4(8),6-dien-11-one

C18H18N2O2 — CID 135194724

IUPAC(1S)-3-methyl-10-phenyl-5-oxa-6,12-diazatetracyclo[8.4.0.01,3.04,8]tetradeca-4(8),6-dien-11-one
SMILESCC12C[C@]13CCNC(=O)C3(c1ccccc1)Cc1cnoc12
InChIInChI=1S/C18H18N2O2/c1-16-11-17(16)7-8-19-15(21)18(17,13-5-3-2-4-6-13)9-12-10-20-22-14(12)16/h2-6,10H,7-9,11H2,1H3,(H,19,21)/t16?,17-,18?/m1/s1
InChIKeyXUXFFPVVHAQWSB-LXPRWKDFSA-N
MW294.35 g/mol
LogP2.34
Rot. Bonds1

About (1S)-3-methyl-10-phenyl-5-oxa-6,12-diazatetracyclo[8.4.0.01,3.04,8]tetradeca-4(8),6-dien-11-one

(1S)-3-methyl-10-phenyl-5-oxa-6,12-diazatetracyclo[8.4.0.01,3.04,8]tetradeca-4(8),6-dien-11-one (PubChem CID 135194724) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (1S)-3-methyl-10-phenyl-5-oxa-6,12-diazatetracyclo[8.4.0.01,3.04,8]tetradeca-4(8),6-dien-11-one.

Molecular Properties

Compound Name(1S)-3-methyl-10-phenyl-5-oxa-6,12-diazatetracyclo[8.4.0.01,3.04,8]tetradeca-4(8),6-dien-11-one
PubChem CID135194724
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(1S)-3-methyl-10-phenyl-5-oxa-6,12-diazatetracyclo[8.4.0.01,3.04,8]tetradeca-4(8),6-dien-11-one
SMILESCC12C[C@]13CCNC(=O)C3(c1ccccc1)Cc1cnoc12
InChIInChI=1S/C18H18N2O2/c1-16-11-17(16)7-8-19-15(21)18(17,13-5-3-2-4-6-13)9-12-10-20-22-14(12)16/h2-6,10H,7-9,11H2,1H3,(H,19,21)/t16?,17-,18?/m1/s1
InChIKeyXUXFFPVVHAQWSB-LXPRWKDFSA-N
XLogP2.34
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-3-methyl-10-phenyl-5-oxa-6,12-diazatetracyclo[8.4.0.01,3.04,8]tetradeca-4(8),6-dien-11-one with MolForge

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Related Compounds

(1R,3R)-3,12-diethyl-10-phenyl-5-oxa-6,12-diazatetracyclo[8.4.0.01,3.04,8]tetradeca-4(8),6-dien-11-one
CID 146248658
(4aS,8aS,9S)-9-methyl-4a-phenyl-4,6,7,8,8a,9-hexahydro-[1,2]oxazolo[5,4-g]isoquinolin-5-one
CID 146248597
(1S)-10-ethyl-1-methyl-8-phenyl-3-oxa-4,10-diazatricyclo[6.5.1.02,6]tetradeca-2(6),4-dien-9-one
CID 166820732
(5R)-1'-benzyl-7,7-dimethylspiro[4,6-dihydro-1,2-benzoxazole-5,4'-pyrrolidine]-2'-one
CID 162442142
(3S)-3-methyl-3-phenylpiperazin-2-one
CID 94410308
5-amino-1-phenyl-3-azabicyclo[3.1.0]hexan-2-one
CID 11636956
(1R,6S)-1,3,4,6-tetramethyl-7,7-diphenylbicyclo[4.2.0]oct-3-ene-2,5-dione
CID 101414822
(1-methyl-2,2-diphenylcyclopropyl)benzene
CID 14338185
3-benzyl-3-methylpyrrolidin-2-one
CID 10420013
(3S)-3-methyl-3-phenylazetidin-2-one
CID 10329577
1,6-dimethyl-6-phenylpiperazine-2,5-dione
CID 64879749
(8aS)-7-isocyano-5,5-dimethyl-2-(1-methylimidazol-2-yl)-8a-phenyl-3H-isoquinoline-1,6-dione;(8aR)-7-isocyano-5,5-dimethyl-2-(1-methylimidazol-2-yl)-8a-phenyl-3H-isoquinoline-1,6-dione;9,9-dimethyl-4a-phenyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-g]isoquinolin-5-one
CID 160995565

Frequently Asked Questions

What is the IUPAC name of (1S)-3-methyl-10-phenyl-5-oxa-6,12-diazatetracyclo[8.4.0.01,3.04,8]tetradeca-4(8),6-dien-11-one?
The IUPAC name of (1S)-3-methyl-10-phenyl-5-oxa-6,12-diazatetracyclo[8.4.0.01,3.04,8]tetradeca-4(8),6-dien-11-one (CID 135194724) is (1S)-3-methyl-10-phenyl-5-oxa-6,12-diazatetracyclo[8.4.0.01,3.04,8]tetradeca-4(8),6-dien-11-one.
What is the SMILES notation for (1S)-3-methyl-10-phenyl-5-oxa-6,12-diazatetracyclo[8.4.0.01,3.04,8]tetradeca-4(8),6-dien-11-one?
The canonical SMILES for (1S)-3-methyl-10-phenyl-5-oxa-6,12-diazatetracyclo[8.4.0.01,3.04,8]tetradeca-4(8),6-dien-11-one is CC12C[C@]13CCNC(=O)C3(c1ccccc1)Cc1cnoc12.
What is the InChIKey of (1S)-3-methyl-10-phenyl-5-oxa-6,12-diazatetracyclo[8.4.0.01,3.04,8]tetradeca-4(8),6-dien-11-one?
The InChIKey is XUXFFPVVHAQWSB-LXPRWKDFSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-16-11-17(16)7-8-19-15(21)18(17,13-5-3-2-4-6-13)9-12-10-20-22-14(12)16/h2-6,10H,7-9,11H2,1H3,(H,19,21)/t16?,17-,18?/m1/s1.
What are the key properties of (1S)-3-methyl-10-phenyl-5-oxa-6,12-diazatetracyclo[8.4.0.01,3.04,8]tetradeca-4(8),6-dien-11-one?
(1S)-3-methyl-10-phenyl-5-oxa-6,12-diazatetracyclo[8.4.0.01,3.04,8]tetradeca-4(8),6-dien-11-one has a molecular weight of 294.35 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-methyl-10-phenyl-5-oxa-6,12-diazatetracyclo[8.4.0.01,3.04,8]tetradeca-4(8),6-dien-11-one is sourced from PubChem (CID 135194724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).