(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

C20H29NO2 — CID 11522556

IUPAC(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
SMILESCC[C@@H]1CC(CC)(CC)C(=O)N2[C@H](c3ccccc3)CO[C@@]12C
InChIInChI=1S/C20H29NO2/c1-5-16-13-20(6-2,7-3)18(22)21-17(14-23-19(16,21)4)15-11-9-8-10-12-15/h8-12,16-17H,5-7,13-14H2,1-4H3/t16-,17+,19+/m1/s1
InChIKeyFECYDDJJYNRFDZ-AOIWGVFYSA-N
MW315.46 g/mol
LogP4.54
Rot. Bonds4

About (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

(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 (PubChem CID 11522556) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID11522556
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name(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
SMILESCC[C@@H]1CC(CC)(CC)C(=O)N2[C@H](c3ccccc3)CO[C@@]12C
InChIInChI=1S/C20H29NO2/c1-5-16-13-20(6-2,7-3)18(22)21-17(14-23-19(16,21)4)15-11-9-8-10-12-15/h8-12,16-17H,5-7,13-14H2,1-4H3/t16-,17+,19+/m1/s1
InChIKeyFECYDDJJYNRFDZ-AOIWGVFYSA-N
XLogP4.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (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 with MolForge

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Related Compounds

(3R,8R,8aR)-6,6,8-triethyl-3,8a-diphenyl-2,3,7,8-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 11703557
(3S,7S,8aR)-7-benzyl-8a-methyl-3-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 11782220
(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
(3S,8aR)-3-phenyl-8a-propyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 10777688
(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,8S,8aS)-8-(4-methoxyphenyl)-8a-methyl-3-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 102024515
(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
(3S,8aR)-8a-methyl-3-phenyl-3,8-dihydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 10966283
(3S,7aR)-7a-methyl-3,6-diphenyl-2,3-dihydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 11022657
(3S,10bR)-8,9-dimethoxy-10b-methyl-3-phenyl-3,6-dihydro-2H-[1,3]oxazolo[2,3-a]isoquinolin-5-one
CID 10545042
(3R,8aR)-3,8a-diphenyl-6,6-bis(prop-2-enyl)-2,3,7,8-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 11595898
(1R,2R,5S,8R)-8-bromo-2-methyl-5-phenyl-10-[(1R)-1-phenylethyl]-3-oxa-6,10-diazatricyclo[6.3.0.02,6]undecan-7-one
CID 10599265

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC[C@@H]1CC(CC)(CC)C(=O)N2[C@H](c3ccccc3)CO[C@@]12C.
What is the InChIKey of (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?
The InChIKey is FECYDDJJYNRFDZ-AOIWGVFYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-5-16-13-20(6-2,7-3)18(22)21-17(14-23-19(16,21)4)15-11-9-8-10-12-15/h8-12,16-17H,5-7,13-14H2,1-4H3/t16-,17+,19+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 315.46 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 11522556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).