(3'S,5'R)-1'-fluoro-3-phenylspiro[4H-1,2-oxazole-5,4'-adamantane]

C18H20FNO — CID 10493381

IUPAC(3'S,5'R)-1'-fluoro-3-phenylspiro[4H-1,2-oxazole-5,4'-adamantane]
SMILESFC12CC3C[C@H](C1)C1(CC(c4ccccc4)=NO1)[C@@H](C3)C2
InChIInChI=1S/C18H20FNO/c19-17-8-12-6-14(9-17)18(15(7-12)10-17)11-16(20-21-18)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2/t12?,14-,15+,17?,18?
InChIKeyQZKHDCHDUWDGKV-LNBSTABGSA-N
MW285.36 g/mol
LogP4.10
Rot. Bonds1

About (3'S,5'R)-1'-fluoro-3-phenylspiro[4H-1,2-oxazole-5,4'-adamantane]

(3'S,5'R)-1'-fluoro-3-phenylspiro[4H-1,2-oxazole-5,4'-adamantane] (PubChem CID 10493381) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is (3'S,5'R)-1'-fluoro-3-phenylspiro[4H-1,2-oxazole-5,4'-adamantane].

Molecular Properties

Compound Name(3'S,5'R)-1'-fluoro-3-phenylspiro[4H-1,2-oxazole-5,4'-adamantane]
PubChem CID10493381
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name(3'S,5'R)-1'-fluoro-3-phenylspiro[4H-1,2-oxazole-5,4'-adamantane]
SMILESFC12CC3C[C@H](C1)C1(CC(c4ccccc4)=NO1)[C@@H](C3)C2
InChIInChI=1S/C18H20FNO/c19-17-8-12-6-14(9-17)18(15(7-12)10-17)11-16(20-21-18)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2/t12?,14-,15+,17?,18?
InChIKeyQZKHDCHDUWDGKV-LNBSTABGSA-N
XLogP4.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3'S,5'R)-1'-fluoro-3-phenylspiro[4H-1,2-oxazole-5,4'-adamantane]?
The IUPAC name of (3'S,5'R)-1'-fluoro-3-phenylspiro[4H-1,2-oxazole-5,4'-adamantane] (CID 10493381) is (3'S,5'R)-1'-fluoro-3-phenylspiro[4H-1,2-oxazole-5,4'-adamantane].
What is the SMILES notation for (3'S,5'R)-1'-fluoro-3-phenylspiro[4H-1,2-oxazole-5,4'-adamantane]?
The canonical SMILES for (3'S,5'R)-1'-fluoro-3-phenylspiro[4H-1,2-oxazole-5,4'-adamantane] is FC12CC3C[C@H](C1)C1(CC(c4ccccc4)=NO1)[C@@H](C3)C2.
What is the InChIKey of (3'S,5'R)-1'-fluoro-3-phenylspiro[4H-1,2-oxazole-5,4'-adamantane]?
The InChIKey is QZKHDCHDUWDGKV-LNBSTABGSA-N. The full InChI is InChI=1S/C18H20FNO/c19-17-8-12-6-14(9-17)18(15(7-12)10-17)11-16(20-21-18)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2/t12?,14-,15+,17?,18?.
What are the key properties of (3'S,5'R)-1'-fluoro-3-phenylspiro[4H-1,2-oxazole-5,4'-adamantane]?
(3'S,5'R)-1'-fluoro-3-phenylspiro[4H-1,2-oxazole-5,4'-adamantane] has a molecular weight of 285.36 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3'S,5'R)-1'-fluoro-3-phenylspiro[4H-1,2-oxazole-5,4'-adamantane] is sourced from PubChem (CID 10493381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).