(6R,7R)-3,3-dimethyl-7-naphthalen-1-yl-6-propan-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

C21H25NO2 — CID 59967191

IUPAC(6R,7R)-3,3-dimethyl-7-naphthalen-1-yl-6-propan-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC(C)[C@H]1C(=O)N2C(COC2(C)C)[C@H]1c1cccc2ccccc12
InChIInChI=1S/C21H25NO2/c1-13(2)18-19(17-12-24-21(3,4)22(17)20(18)23)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,13,17-19H,12H2,1-4H3/t17?,18-,19-/m1/s1
InChIKeyVGXIFOJJZOTKHE-OMKBGSMGSA-N
MW323.44 g/mol
LogP4.17
Rot. Bonds2

About (6R,7R)-3,3-dimethyl-7-naphthalen-1-yl-6-propan-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

(6R,7R)-3,3-dimethyl-7-naphthalen-1-yl-6-propan-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 59967191) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (6R,7R)-3,3-dimethyl-7-naphthalen-1-yl-6-propan-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name(6R,7R)-3,3-dimethyl-7-naphthalen-1-yl-6-propan-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID59967191
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(6R,7R)-3,3-dimethyl-7-naphthalen-1-yl-6-propan-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC(C)[C@H]1C(=O)N2C(COC2(C)C)[C@H]1c1cccc2ccccc12
InChIInChI=1S/C21H25NO2/c1-13(2)18-19(17-12-24-21(3,4)22(17)20(18)23)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,13,17-19H,12H2,1-4H3/t17?,18-,19-/m1/s1
InChIKeyVGXIFOJJZOTKHE-OMKBGSMGSA-N
XLogP4.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6S,7S)-7-fluoro-3,3-dimethyl-7-(4-methylnaphthalen-1-yl)-6-propan-2-yl-6,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 59967189
octyl (2S,3aS,6aS)-1-(4-naphthalen-2-ylbutanoyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate
CID 14699679
tert-butyl (3R)-3-(naphthalen-1-ylmethyl)-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanoate
CID 22856694
O-propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-3-naphthalen-1-ylpyrrolidine-2-carbothioate
CID 57078365
(2R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-(naphthalen-1-ylmethyl)-4-pyrrolidin-1-ylbutane-1,4-dione
CID 57094508
(6S,7R,7aS)-3,3,6-trimethyl-7-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 59034701
(6R,7R)-7-(4-hept-1-ynylnaphthalen-1-yl)-3,3-dimethyl-6-propan-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 59967186
(6R,7R)-7-hydroxy-3,3-dimethyl-7-naphthalen-1-yl-6-propan-2-yl-6,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 59967187
(6R,7R)-7-hydroxy-3,3-dimethyl-7-(4-methylnaphthalen-1-yl)-6-propan-2-yl-6,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 59967192
(6R,7R)-3,3-dimethyl-7-(4-methylnaphthalen-1-yl)-6-propan-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 59967195
3,3-Dimethyl-6-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 70073707
4-[(7S,8R)-7-hydroxy-1-methyl-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl]naphthalene-1-carbonitrile
CID 71101759

Frequently Asked Questions

What is the IUPAC name of (6R,7R)-3,3-dimethyl-7-naphthalen-1-yl-6-propan-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of (6R,7R)-3,3-dimethyl-7-naphthalen-1-yl-6-propan-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (CID 59967191) is (6R,7R)-3,3-dimethyl-7-naphthalen-1-yl-6-propan-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for (6R,7R)-3,3-dimethyl-7-naphthalen-1-yl-6-propan-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for (6R,7R)-3,3-dimethyl-7-naphthalen-1-yl-6-propan-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is CC(C)[C@H]1C(=O)N2C(COC2(C)C)[C@H]1c1cccc2ccccc12.
What is the InChIKey of (6R,7R)-3,3-dimethyl-7-naphthalen-1-yl-6-propan-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is VGXIFOJJZOTKHE-OMKBGSMGSA-N. The full InChI is InChI=1S/C21H25NO2/c1-13(2)18-19(17-12-24-21(3,4)22(17)20(18)23)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,13,17-19H,12H2,1-4H3/t17?,18-,19-/m1/s1.
What are the key properties of (6R,7R)-3,3-dimethyl-7-naphthalen-1-yl-6-propan-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
(6R,7R)-3,3-dimethyl-7-naphthalen-1-yl-6-propan-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 323.44 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-3,3-dimethyl-7-naphthalen-1-yl-6-propan-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 59967191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).