7a-(2-fluorophenyl)-4-methyl-1,3,3a,4,5,7-hexahydropyrano[3,4-c][1,2]oxazole

C13H16FNO2 — CID 70231437

IUPAC7a-(2-fluorophenyl)-4-methyl-1,3,3a,4,5,7-hexahydropyrano[3,4-c][1,2]oxazole
SMILESCC1COCC2(c3ccccc3F)NOCC12
InChIInChI=1S/C13H16FNO2/c1-9-6-16-8-13(11(9)7-17-15-13)10-4-2-3-5-12(10)14/h2-5,9,11,15H,6-8H2,1H3
InChIKeyNFHBMVKQAWVSJR-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.84
Rot. Bonds1

About 7a-(2-fluorophenyl)-4-methyl-1,3,3a,4,5,7-hexahydropyrano[3,4-c][1,2]oxazole

7a-(2-fluorophenyl)-4-methyl-1,3,3a,4,5,7-hexahydropyrano[3,4-c][1,2]oxazole (PubChem CID 70231437) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 7a-(2-fluorophenyl)-4-methyl-1,3,3a,4,5,7-hexahydropyrano[3,4-c][1,2]oxazole.

Molecular Properties

Compound Name7a-(2-fluorophenyl)-4-methyl-1,3,3a,4,5,7-hexahydropyrano[3,4-c][1,2]oxazole
PubChem CID70231437
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name7a-(2-fluorophenyl)-4-methyl-1,3,3a,4,5,7-hexahydropyrano[3,4-c][1,2]oxazole
SMILESCC1COCC2(c3ccccc3F)NOCC12
InChIInChI=1S/C13H16FNO2/c1-9-6-16-8-13(11(9)7-17-15-13)10-4-2-3-5-12(10)14/h2-5,9,11,15H,6-8H2,1H3
InChIKeyNFHBMVKQAWVSJR-UHFFFAOYSA-N
XLogP1.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7a-(2-fluorophenyl)-4-methyl-1,3,3a,4,5,7-hexahydropyrano[3,4-c][1,2]oxazole with MolForge

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Related Compounds

(3aR,7aR)-3a-(2-fluorophenyl)-7-methyl-1,3,4,6,7,7a-hexahydrofuro[3,4-c]pyran
CID 58406095
(3aR,5S,6aS)-6a-(2-fluorophenyl)-5-methyl-1,3,3a,4,5,6-hexahydrocyclopenta[c][1,2]oxazole
CID 118281847
6a-(2,3-difluorophenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole
CID 140895641
(3aR,6aS)-6a-(2-fluorophenyl)spiro[1,3,3a,6-tetrahydrofuro[3,4-c][1,2]oxazole-4,1'-cyclopropane]
CID 154520053
(6aS)-6a-(2-fluorophenyl)-5-methoxy-1,3,3a,4,5,6-hexahydrocyclopenta[c][1,2]oxazole
CID 70258489
6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole
CID 77459406
(4S)-6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole
CID 70495269
(5R)-5-ethoxy-6a-(2-fluorophenyl)-1,3,3a,4,5,6-hexahydrocyclopenta[c][1,2]oxazole
CID 70260121
(4aS,7aS)-2-cyclopropyl-4a-(2-fluorophenyl)-2-methyl-3-methylidene-4,5,7,7a-tetrahydrofuro[3,4-b][1,4]thiazine 1,1-dioxide
CID 118553334
(3aR,6R,7aS)-7a-(2-fluorophenyl)-6-phenylmethoxy-3,3a,4,5,6,7-hexahydro-1H-2,1-benzoxazole
CID 67477921
(3aR,6R,6aR)-6-ethyl-3a-(2-fluorophenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
CID 59621298
(3S,4S)-4-(2-fluorophenyl)-4-(methylamino)oxolane-3-carboxylic acid
CID 66868946

Frequently Asked Questions

What is the IUPAC name of 7a-(2-fluorophenyl)-4-methyl-1,3,3a,4,5,7-hexahydropyrano[3,4-c][1,2]oxazole?
The IUPAC name of 7a-(2-fluorophenyl)-4-methyl-1,3,3a,4,5,7-hexahydropyrano[3,4-c][1,2]oxazole (CID 70231437) is 7a-(2-fluorophenyl)-4-methyl-1,3,3a,4,5,7-hexahydropyrano[3,4-c][1,2]oxazole.
What is the SMILES notation for 7a-(2-fluorophenyl)-4-methyl-1,3,3a,4,5,7-hexahydropyrano[3,4-c][1,2]oxazole?
The canonical SMILES for 7a-(2-fluorophenyl)-4-methyl-1,3,3a,4,5,7-hexahydropyrano[3,4-c][1,2]oxazole is CC1COCC2(c3ccccc3F)NOCC12.
What is the InChIKey of 7a-(2-fluorophenyl)-4-methyl-1,3,3a,4,5,7-hexahydropyrano[3,4-c][1,2]oxazole?
The InChIKey is NFHBMVKQAWVSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9-6-16-8-13(11(9)7-17-15-13)10-4-2-3-5-12(10)14/h2-5,9,11,15H,6-8H2,1H3.
What are the key properties of 7a-(2-fluorophenyl)-4-methyl-1,3,3a,4,5,7-hexahydropyrano[3,4-c][1,2]oxazole?
7a-(2-fluorophenyl)-4-methyl-1,3,3a,4,5,7-hexahydropyrano[3,4-c][1,2]oxazole has a molecular weight of 237.27 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-(2-fluorophenyl)-4-methyl-1,3,3a,4,5,7-hexahydropyrano[3,4-c][1,2]oxazole is sourced from PubChem (CID 70231437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).