(2R,5R)-2-methyl-5-phenyl-3-oxa-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),8,10,12,14,16-hexaen-7-one

C23H19NO2 — CID 11439257

IUPAC(2R,5R)-2-methyl-5-phenyl-3-oxa-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),8,10,12,14,16-hexaen-7-one
SMILESC[C@]12OC[C@@H](c3ccccc3)N1C(=O)c1ccccc1-c1ccccc12
InChIInChI=1S/C23H19NO2/c1-23-20-14-8-7-12-18(20)17-11-5-6-13-19(17)22(25)24(23)21(15-26-23)16-9-3-2-4-10-16/h2-14,21H,15H2,1H3/t21-,23+/m0/s1
InChIKeyLLVPSNBBTLKFAX-JTHBVZDNSA-N
MW341.41 g/mol
LogP4.75
Rot. Bonds1

About (2R,5R)-2-methyl-5-phenyl-3-oxa-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),8,10,12,14,16-hexaen-7-one

(2R,5R)-2-methyl-5-phenyl-3-oxa-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),8,10,12,14,16-hexaen-7-one (PubChem CID 11439257) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2R,5R)-2-methyl-5-phenyl-3-oxa-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),8,10,12,14,16-hexaen-7-one.

Molecular Properties

Compound Name(2R,5R)-2-methyl-5-phenyl-3-oxa-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),8,10,12,14,16-hexaen-7-one
PubChem CID11439257
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name(2R,5R)-2-methyl-5-phenyl-3-oxa-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),8,10,12,14,16-hexaen-7-one
SMILESC[C@]12OC[C@@H](c3ccccc3)N1C(=O)c1ccccc1-c1ccccc12
InChIInChI=1S/C23H19NO2/c1-23-20-14-8-7-12-18(20)17-11-5-6-13-19(17)22(25)24(23)21(15-26-23)16-9-3-2-4-10-16/h2-14,21H,15H2,1H3/t21-,23+/m0/s1
InChIKeyLLVPSNBBTLKFAX-JTHBVZDNSA-N
XLogP4.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,5R)-2-methyl-5-phenyl-3-oxa-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),8,10,12,14,16-hexaen-7-one with MolForge

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Related Compounds

2-benzyl-5-phenyl-3-oxa-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),8,10,12,14,16-hexaen-7-one
CID 102587384
3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
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(2R,3R,3'S,7'aR)-7'a-methyl-2,3'-diphenylspiro[1,2-dihydroindole-3,6'-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole]-5'-one
CID 102430692
(3S,7aR)-7a-methyl-3,6-diphenyl-2,3-dihydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 11022657
(3S,8aR)-8a-methyl-3-phenyl-3,8-dihydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 10966283
(1R,2R,4S,7S)-3-[(1R)-1-cyclohexylethyl]-1-methyl-7-phenyl-9-oxa-3,6-diazatricyclo[4.3.0.02,4]nonan-5-one
CID 11013249
(2R,3R,3'S,7'aR)-2-(furan-3-yl)-7'a-methyl-3'-phenylspiro[1,2-dihydroindole-3,6'-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole]-5'-one
CID 102430690
(3R,9aS)-9a-methyl-3-phenyl-2,3,6,7,8,9-hexahydro-[1,3]oxazolo[3,2-a]azepin-5-one
CID 10729053
(3R,8R,8aS)-6,6,8-triethyl-8a-methyl-3-phenyl-2,3,7,8-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 11522556
(1'S,2'R,5'S,8'R)-1'-methyl-8'-phenylspiro[1,3-dithiolane-2,4'-10-oxa-7-azatricyclo[5.3.0.02,5]decane]-6'-one
CID 98550157
(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-methyl-5-phenyl-3-oxa-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),8,10,12,14,16-hexaen-7-one?
The IUPAC name of (2R,5R)-2-methyl-5-phenyl-3-oxa-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),8,10,12,14,16-hexaen-7-one (CID 11439257) is (2R,5R)-2-methyl-5-phenyl-3-oxa-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),8,10,12,14,16-hexaen-7-one.
What is the SMILES notation for (2R,5R)-2-methyl-5-phenyl-3-oxa-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),8,10,12,14,16-hexaen-7-one?
The canonical SMILES for (2R,5R)-2-methyl-5-phenyl-3-oxa-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),8,10,12,14,16-hexaen-7-one is C[C@]12OC[C@@H](c3ccccc3)N1C(=O)c1ccccc1-c1ccccc12.
What is the InChIKey of (2R,5R)-2-methyl-5-phenyl-3-oxa-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),8,10,12,14,16-hexaen-7-one?
The InChIKey is LLVPSNBBTLKFAX-JTHBVZDNSA-N. The full InChI is InChI=1S/C23H19NO2/c1-23-20-14-8-7-12-18(20)17-11-5-6-13-19(17)22(25)24(23)21(15-26-23)16-9-3-2-4-10-16/h2-14,21H,15H2,1H3/t21-,23+/m0/s1.
What are the key properties of (2R,5R)-2-methyl-5-phenyl-3-oxa-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),8,10,12,14,16-hexaen-7-one?
(2R,5R)-2-methyl-5-phenyl-3-oxa-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),8,10,12,14,16-hexaen-7-one has a molecular weight of 341.41 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-methyl-5-phenyl-3-oxa-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),8,10,12,14,16-hexaen-7-one is sourced from PubChem (CID 11439257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).