(3S,4R)-2'-ethoxy-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]

C15H16F3NO2 — CID 134954190

IUPAC(3S,4R)-2'-ethoxy-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
SMILESCCOC1=NC[C@]2(O1)c1ccccc1CC[C@@H]2C(F)(F)F
InChIInChI=1S/C15H16F3NO2/c1-2-20-13-19-9-14(21-13)11-6-4-3-5-10(11)7-8-12(14)15(16,17)18/h3-6,12H,2,7-9H2,1H3/t12-,14-/m0/s1
InChIKeyUQHRHPFHNAMVPF-JSGCOSHPSA-N
MW299.29 g/mol
LogP3.43
Rot. Bonds1

About (3S,4R)-2'-ethoxy-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]

(3S,4R)-2'-ethoxy-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole] (PubChem CID 134954190) has the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol. Its IUPAC name is (3S,4R)-2'-ethoxy-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole].

Molecular Properties

Compound Name(3S,4R)-2'-ethoxy-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
PubChem CID134954190
Molecular FormulaC15H16F3NO2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Name(3S,4R)-2'-ethoxy-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
SMILESCCOC1=NC[C@]2(O1)c1ccccc1CC[C@@H]2C(F)(F)F
InChIInChI=1S/C15H16F3NO2/c1-2-20-13-19-9-14(21-13)11-6-4-3-5-10(11)7-8-12(14)15(16,17)18/h3-6,12H,2,7-9H2,1H3/t12-,14-/m0/s1
InChIKeyUQHRHPFHNAMVPF-JSGCOSHPSA-N
XLogP3.43
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-2'-ethoxy-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole] with MolForge

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Related Compounds

(3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 122364929
(3S,4R)-2'-methyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 134954189
(3S,4R)-2'-(trichloromethyl)-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 134954191
(3AR,9bS)-2-ethoxy-3a,4,5,9b-tetrahydronaphtho[2,1-d]oxazole
CID 18661280
(4R,5R)-2-ethoxy-4-methyl-5-phenyl-5-propan-2-yl-4H-1,3-oxazole
CID 166441449
2'-methyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 122390031
3-(trifluoromethyl)-2'-(2,4,6-trimethylphenyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 122390032
2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 122390033
(4S)-2-ethoxy-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole
CID 10828694

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-2'-ethoxy-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]?
The IUPAC name of (3S,4R)-2'-ethoxy-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole] (CID 134954190) is (3S,4R)-2'-ethoxy-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole].
What is the SMILES notation for (3S,4R)-2'-ethoxy-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]?
The canonical SMILES for (3S,4R)-2'-ethoxy-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole] is CCOC1=NC[C@]2(O1)c1ccccc1CC[C@@H]2C(F)(F)F.
What is the InChIKey of (3S,4R)-2'-ethoxy-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]?
The InChIKey is UQHRHPFHNAMVPF-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H16F3NO2/c1-2-20-13-19-9-14(21-13)11-6-4-3-5-10(11)7-8-12(14)15(16,17)18/h3-6,12H,2,7-9H2,1H3/t12-,14-/m0/s1.
What are the key properties of (3S,4R)-2'-ethoxy-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]?
(3S,4R)-2'-ethoxy-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole] has a molecular weight of 299.29 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-2'-ethoxy-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole] is sourced from PubChem (CID 134954190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).