5-fluoro-6-methyl-2-(4-methylphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole

C14H16FNO — CID 177426058

IUPAC5-fluoro-6-methyl-2-(4-methylphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
SMILESCc1ccc(C2=NC3CC(F)C(C)C3O2)cc1
InChIInChI=1S/C14H16FNO/c1-8-3-5-10(6-4-8)14-16-12-7-11(15)9(2)13(12)17-14/h3-6,9,11-13H,7H2,1-2H3
InChIKeyCMFLEKMOMKIOGG-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.89
Rot. Bonds1

About 5-fluoro-6-methyl-2-(4-methylphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole

5-fluoro-6-methyl-2-(4-methylphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole (PubChem CID 177426058) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 5-fluoro-6-methyl-2-(4-methylphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole.

Molecular Properties

Compound Name5-fluoro-6-methyl-2-(4-methylphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
PubChem CID177426058
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name5-fluoro-6-methyl-2-(4-methylphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
SMILESCc1ccc(C2=NC3CC(F)C(C)C3O2)cc1
InChIInChI=1S/C14H16FNO/c1-8-3-5-10(6-4-8)14-16-12-7-11(15)9(2)13(12)17-14/h3-6,9,11-13H,7H2,1-2H3
InChIKeyCMFLEKMOMKIOGG-UHFFFAOYSA-N
XLogP2.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3aS,5R,6R,6aR)-5-fluoro-6-methyl-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
CID 139050903
(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
(3aS,5R,6R,6aR)-2-benzyl-5-fluoro-6-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
CID 154714900
(4R)-4-tert-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 154718154
(4S)-4-tert-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 162402336
(4S,5S)-4-butyl-2-phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 162417403
(S)-4-Isopropyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydrooxazole
CID 164674678
1,4-Bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)benzene
CID 11493162
1,4-Bis(5-methyl-4,5-dihydrooxazol-2-yl) benzene
CID 12824754

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-2-(4-methylphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole?
The IUPAC name of 5-fluoro-6-methyl-2-(4-methylphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole (CID 177426058) is 5-fluoro-6-methyl-2-(4-methylphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole.
What is the SMILES notation for 5-fluoro-6-methyl-2-(4-methylphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole?
The canonical SMILES for 5-fluoro-6-methyl-2-(4-methylphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole is Cc1ccc(C2=NC3CC(F)C(C)C3O2)cc1.
What is the InChIKey of 5-fluoro-6-methyl-2-(4-methylphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole?
The InChIKey is CMFLEKMOMKIOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-8-3-5-10(6-4-8)14-16-12-7-11(15)9(2)13(12)17-14/h3-6,9,11-13H,7H2,1-2H3.
What are the key properties of 5-fluoro-6-methyl-2-(4-methylphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole?
5-fluoro-6-methyl-2-(4-methylphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole has a molecular weight of 233.29 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-2-(4-methylphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole is sourced from PubChem (CID 177426058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).