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

C14H17NO — CID 58433202

IUPAC(4S)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,2-oxazole]
SMILESCC1=NO[C@]2(C1)c1ccccc1CCC2C
InChIInChI=1S/C14H17NO/c1-10-7-8-12-5-3-4-6-13(12)14(10)9-11(2)15-16-14/h3-6,10H,7-9H2,1-2H3/t10?,14-/m0/s1
InChIKeyKYBZARSFDHIIPZ-SBNLOKMTSA-N
MW215.30 g/mol
LogP3.26
Rot. Bonds

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

(4S)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,2-oxazole] (PubChem CID 58433202) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (4S)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,2-oxazole].

Molecular Properties

Compound Name(4S)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,2-oxazole]
PubChem CID58433202
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(4S)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,2-oxazole]
SMILESCC1=NO[C@]2(C1)c1ccccc1CCC2C
InChIInChI=1S/C14H17NO/c1-10-7-8-12-5-3-4-6-13(12)14(10)9-11(2)15-16-14/h3-6,10H,7-9H2,1-2H3/t10?,14-/m0/s1
InChIKeyKYBZARSFDHIIPZ-SBNLOKMTSA-N
XLogP3.26
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,2-oxazole]?
The IUPAC name of (4S)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,2-oxazole] (CID 58433202) is (4S)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,2-oxazole].
What is the SMILES notation for (4S)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,2-oxazole]?
The canonical SMILES for (4S)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,2-oxazole] is CC1=NO[C@]2(C1)c1ccccc1CCC2C.
What is the InChIKey of (4S)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,2-oxazole]?
The InChIKey is KYBZARSFDHIIPZ-SBNLOKMTSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-7-8-12-5-3-4-6-13(12)14(10)9-11(2)15-16-14/h3-6,10H,7-9H2,1-2H3/t10?,14-/m0/s1.
What are the key properties of (4S)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,2-oxazole]?
(4S)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,2-oxazole] has a molecular weight of 215.30 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,2-oxazole] is sourced from PubChem (CID 58433202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).