6-cyclohexyl-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

C14H23NO2 — CID 23322316

IUPAC6-cyclohexyl-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC1(C)OCC2CC(C3CCCCC3)C(=O)N21
InChIInChI=1S/C14H23NO2/c1-14(2)15-11(9-17-14)8-12(13(15)16)10-6-4-3-5-7-10/h10-12H,3-9H2,1-2H3
InChIKeyVBLMHACZHBAENC-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.55
Rot. Bonds1

About 6-cyclohexyl-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

6-cyclohexyl-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 23322316) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 6-cyclohexyl-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name6-cyclohexyl-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID23322316
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name6-cyclohexyl-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC1(C)OCC2CC(C3CCCCC3)C(=O)N21
InChIInChI=1S/C14H23NO2/c1-14(2)15-11(9-17-14)8-12(13(15)16)10-6-4-3-5-7-10/h10-12H,3-9H2,1-2H3
InChIKeyVBLMHACZHBAENC-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-cyclohexyl-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one with MolForge

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Related Compounds

(3R,5S,7S)-10,10-dimethyl-9-oxa-1-azatricyclo[5.3.0.03,5]decan-2-one
CID 126969517
(6R,8aS)-3,3,6-trimethyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-5-one
CID 15402243
6-(3-hydroxyoxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 142734611
6-(3-fluorooxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 142734623
5,5-dimethyl-4-oxa-6-azatricyclo[6.1.1.02,6]decan-7-one
CID 123234429
(7aS)-6-(benzenesulfonyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 11748455
(7R,7aS)-7-cyclopropyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 70891075
(1R,6R,9S)-6-methyl-7-oxa-2-azatricyclo[7.4.0.02,6]tridecan-3-one
CID 11805938
(6S,7aS)-6-ethyl-6-fluoro-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414398
6-fluoro-6-(hydroxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 142734619
(6S)-6-[(S)-anilino-[2-(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 132523638
(6R,7aS)-6-fluoro-6-(2-fluoroethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414299

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of 6-cyclohexyl-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (CID 23322316) is 6-cyclohexyl-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for 6-cyclohexyl-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for 6-cyclohexyl-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is CC1(C)OCC2CC(C3CCCCC3)C(=O)N21.
What is the InChIKey of 6-cyclohexyl-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is VBLMHACZHBAENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2)15-11(9-17-14)8-12(13(15)16)10-6-4-3-5-7-10/h10-12H,3-9H2,1-2H3.
What are the key properties of 6-cyclohexyl-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
6-cyclohexyl-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 237.34 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 23322316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).