5-ethyl-2-(4-fluorophenyl)-3,8-dihydro-2H-cyclohepta[d][1,3]oxazole

C16H16FNO — CID 142875735

IUPAC5-ethyl-2-(4-fluorophenyl)-3,8-dihydro-2H-cyclohepta[d][1,3]oxazole
SMILESCCC1=CC2=C(CC=C1)OC(c1ccc(F)cc1)N2
InChIInChI=1S/C16H16FNO/c1-2-11-4-3-5-15-14(10-11)18-16(19-15)12-6-8-13(17)9-7-12/h3-4,6-10,16,18H,2,5H2,1H3
InChIKeyIIOXBXKMZRZALS-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.95
Rot. Bonds2

About 5-ethyl-2-(4-fluorophenyl)-3,8-dihydro-2H-cyclohepta[d][1,3]oxazole

5-ethyl-2-(4-fluorophenyl)-3,8-dihydro-2H-cyclohepta[d][1,3]oxazole (PubChem CID 142875735) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-ethyl-2-(4-fluorophenyl)-3,8-dihydro-2H-cyclohepta[d][1,3]oxazole.

Molecular Properties

Compound Name5-ethyl-2-(4-fluorophenyl)-3,8-dihydro-2H-cyclohepta[d][1,3]oxazole
PubChem CID142875735
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name5-ethyl-2-(4-fluorophenyl)-3,8-dihydro-2H-cyclohepta[d][1,3]oxazole
SMILESCCC1=CC2=C(CC=C1)OC(c1ccc(F)cc1)N2
InChIInChI=1S/C16H16FNO/c1-2-11-4-3-5-15-14(10-11)18-16(19-15)12-6-8-13(17)9-7-12/h3-4,6-10,16,18H,2,5H2,1H3
InChIKeyIIOXBXKMZRZALS-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Oxazolidine, 2-methyl-2-phenyl-
CID 278954
Fluorophenyloxazolidine
CID 153639051
N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(oxolan-2-yl)propan-2-amine
CID 86779501
(2R,4S,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine
CID 10611164
(2S,4R,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine
CID 10634892
(2S,4S,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine
CID 10796683
(2R,4R,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine
CID 10848744
2-Phenyl-5-(trifluoromethyl)-2,3-dihydro-1,3-oxazole
CID 21950124
2-(4-Fluorophenyl)-5-methyl-2,3-dihydro-1,3-oxazole
CID 22563369
2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-4,4-dimethyl-1,3-oxazolidine
CID 23437071
4,4-diethyl-2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-oxazolidine
CID 23437083
N-benzyl-4-fluoro-4-methyl-5-phenylmethoxypentan-2-amine
CID 69551435

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-fluorophenyl)-3,8-dihydro-2H-cyclohepta[d][1,3]oxazole?
The IUPAC name of 5-ethyl-2-(4-fluorophenyl)-3,8-dihydro-2H-cyclohepta[d][1,3]oxazole (CID 142875735) is 5-ethyl-2-(4-fluorophenyl)-3,8-dihydro-2H-cyclohepta[d][1,3]oxazole.
What is the SMILES notation for 5-ethyl-2-(4-fluorophenyl)-3,8-dihydro-2H-cyclohepta[d][1,3]oxazole?
The canonical SMILES for 5-ethyl-2-(4-fluorophenyl)-3,8-dihydro-2H-cyclohepta[d][1,3]oxazole is CCC1=CC2=C(CC=C1)OC(c1ccc(F)cc1)N2.
What is the InChIKey of 5-ethyl-2-(4-fluorophenyl)-3,8-dihydro-2H-cyclohepta[d][1,3]oxazole?
The InChIKey is IIOXBXKMZRZALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-2-11-4-3-5-15-14(10-11)18-16(19-15)12-6-8-13(17)9-7-12/h3-4,6-10,16,18H,2,5H2,1H3.
What are the key properties of 5-ethyl-2-(4-fluorophenyl)-3,8-dihydro-2H-cyclohepta[d][1,3]oxazole?
5-ethyl-2-(4-fluorophenyl)-3,8-dihydro-2H-cyclohepta[d][1,3]oxazole has a molecular weight of 257.31 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-fluorophenyl)-3,8-dihydro-2H-cyclohepta[d][1,3]oxazole is sourced from PubChem (CID 142875735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).