(3aS,8bR)-2-(2-fluorophenyl)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole

C18H16FNO — CID 10636535

IUPAC(3aS,8bR)-2-(2-fluorophenyl)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole
SMILESCC1(C)c2ccccc2[C@H]2OC(c3ccccc3F)=N[C@H]21
InChIInChI=1S/C18H16FNO/c1-18(2)13-9-5-3-7-11(13)15-16(18)20-17(21-15)12-8-4-6-10-14(12)19/h3-10,15-16H,1-2H3/t15-,16-/m1/s1
InChIKeyIGWINOXIDREIHB-HZPDHXFCSA-N
MW281.33 g/mol
LogP4.00
Rot. Bonds1

About (3aS,8bR)-2-(2-fluorophenyl)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole

(3aS,8bR)-2-(2-fluorophenyl)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole (PubChem CID 10636535) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is (3aS,8bR)-2-(2-fluorophenyl)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole.

Molecular Properties

Compound Name(3aS,8bR)-2-(2-fluorophenyl)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole
PubChem CID10636535
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name(3aS,8bR)-2-(2-fluorophenyl)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole
SMILESCC1(C)c2ccccc2[C@H]2OC(c3ccccc3F)=N[C@H]21
InChIInChI=1S/C18H16FNO/c1-18(2)13-9-5-3-7-11(13)15-16(18)20-17(21-15)12-8-4-6-10-14(12)19/h3-10,15-16H,1-2H3/t15-,16-/m1/s1
InChIKeyIGWINOXIDREIHB-HZPDHXFCSA-N
XLogP4.00
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2'-phenyl-2-(trifluoromethyl)spiro[1,2-dihydroindene-3,5'-4H-1,3-oxazole]
CID 134954192
(2S)-2-methyl-2'-phenyl-2-(trifluoromethyl)spiro[1H-indene-3,5'-4H-1,3-oxazole]
CID 134954193
(3aS,6S,6aR)-6-(2-fluoropropan-2-yl)-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
CID 139050906
(3aS,6S,6aR)-6-(2-fluoropropan-2-yl)-2-naphthalen-1-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
CID 154713366
(3aS,6S,6aR)-6-(3-fluoropentan-3-yl)-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
CID 154714050
(3aS,5R,6R,6aR)-5-fluoro-6-methyl-2-naphthalen-1-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
CID 154714727
(4aS,9bR)-4a-fluoro-2-phenyl-5,9b-dihydro-4H-indeno[2,1-e][1,3]oxazine
CID 154715589
5-[[2,4-Difluoro-6-(1-fluoropropyl)phenyl]methyl]-3a-fluoro-2,8-dimethyl-4,8b-dihydroindeno[2,1-d][1,3]oxazole;1,1,1-trifluoroethane
CID 171619704
(3AR,8bS)-2-(2-(diphenylphosphanyl)phenyl)-4,4-dimethyl-3a,8b-dihydro-4H-indeno[2,1-d]oxazole
CID 10527400
(3AS,8bR)-2-(2-(diphenylphosphanyl)phenyl)-4,4-dimethyl-3a,8b-dihydro-4H-indeno[2,1-d]oxazole
CID 10671104
(3AS,8aR)-2-phenyl-3a,8a-dihydro-8H-indeno[1,2-d]oxazole
CID 101867313
(3aS,8bR)-2-(tert-butyl)-3a,8b-dihydro-4H-indeno[2,1-d]oxazole
CID 164510931

Frequently Asked Questions

What is the IUPAC name of (3aS,8bR)-2-(2-fluorophenyl)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole?
The IUPAC name of (3aS,8bR)-2-(2-fluorophenyl)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole (CID 10636535) is (3aS,8bR)-2-(2-fluorophenyl)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole.
What is the SMILES notation for (3aS,8bR)-2-(2-fluorophenyl)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole?
The canonical SMILES for (3aS,8bR)-2-(2-fluorophenyl)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole is CC1(C)c2ccccc2[C@H]2OC(c3ccccc3F)=N[C@H]21.
What is the InChIKey of (3aS,8bR)-2-(2-fluorophenyl)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole?
The InChIKey is IGWINOXIDREIHB-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H16FNO/c1-18(2)13-9-5-3-7-11(13)15-16(18)20-17(21-15)12-8-4-6-10-14(12)19/h3-10,15-16H,1-2H3/t15-,16-/m1/s1.
What are the key properties of (3aS,8bR)-2-(2-fluorophenyl)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole?
(3aS,8bR)-2-(2-fluorophenyl)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole has a molecular weight of 281.33 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bR)-2-(2-fluorophenyl)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole is sourced from PubChem (CID 10636535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).