2'-(4-ethylphenyl)-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]

C20H20FNO — CID 123377473

IUPAC2'-(4-ethylphenyl)-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
SMILESCCc1ccc(C2=NCC3(O2)c2ccccc2CCC3F)cc1
InChIInChI=1S/C20H20FNO/c1-2-14-7-9-16(10-8-14)19-22-13-20(23-19)17-6-4-3-5-15(17)11-12-18(20)21/h3-10,18H,2,11-13H2,1H3
InChIKeyUJBUFYZFKQSBGD-UHFFFAOYSA-N
MW309.38 g/mol
LogP4.21
Rot. Bonds2

About 2'-(4-ethylphenyl)-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]

2'-(4-ethylphenyl)-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole] (PubChem CID 123377473) has the molecular formula C20H20FNO and a molecular weight of 309.38 g/mol. Its IUPAC name is 2'-(4-ethylphenyl)-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole].

Molecular Properties

Compound Name2'-(4-ethylphenyl)-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
PubChem CID123377473
Molecular FormulaC20H20FNO
Molecular Weight309.38 g/mol
Exact Mass309.15
IUPAC Name2'-(4-ethylphenyl)-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
SMILESCCc1ccc(C2=NCC3(O2)c2ccccc2CCC3F)cc1
InChIInChI=1S/C20H20FNO/c1-2-14-7-9-16(10-8-14)19-22-13-20(23-19)17-6-4-3-5-15(17)11-12-18(20)21/h3-10,18H,2,11-13H2,1H3
InChIKeyUJBUFYZFKQSBGD-UHFFFAOYSA-N
XLogP4.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-3-fluoro-2'-(4-iodophenyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 89665132
(3S,4R)-3-fluoro-2'-naphthalen-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 89665170
(3S,4R)-2'-(4-bromophenyl)-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 89665172
(3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 122364929
2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole
CID 132602176
(3S,4R)-2'-methyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 134954189
(3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,6'-4,5-dihydro-1,3-oxazine]
CID 134954194
(4aS,10bS)-4a-fluoro-10b-methyl-2-phenyl-5,6-dihydro-4H-benzo[h][1,3]benzoxazine
CID 135065057
(4aS,10bR)-4a-fluoro-2-phenyl-4,5,6,10b-tetrahydrobenzo[h][1,3]benzoxazine
CID 154714290
(5R)-5-[bromo(difluoro)methyl]-5-(4-methylphenyl)-2-phenyl-4H-1,3-oxazole
CID 155929132
(4S,5S)-4-butyl-2-phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 162417403
2-(4-Fluorophenyl)-5-(p-tolyl)-4,5-dihydrooxazole
CID 164510912

Frequently Asked Questions

What is the IUPAC name of 2'-(4-ethylphenyl)-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]?
The IUPAC name of 2'-(4-ethylphenyl)-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole] (CID 123377473) is 2'-(4-ethylphenyl)-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole].
What is the SMILES notation for 2'-(4-ethylphenyl)-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]?
The canonical SMILES for 2'-(4-ethylphenyl)-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole] is CCc1ccc(C2=NCC3(O2)c2ccccc2CCC3F)cc1.
What is the InChIKey of 2'-(4-ethylphenyl)-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]?
The InChIKey is UJBUFYZFKQSBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO/c1-2-14-7-9-16(10-8-14)19-22-13-20(23-19)17-6-4-3-5-15(17)11-12-18(20)21/h3-10,18H,2,11-13H2,1H3.
What are the key properties of 2'-(4-ethylphenyl)-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]?
2'-(4-ethylphenyl)-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole] has a molecular weight of 309.38 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(4-ethylphenyl)-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole] is sourced from PubChem (CID 123377473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).