3'-phenylspiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,5'-4H-1,2-oxazole]

C18H23NO — CID 11976350

IUPAC3'-phenylspiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,5'-4H-1,2-oxazole]
SMILESc1ccc(C2=NOC3(CCC4CCCCC4C3)C2)cc1
InChIInChI=1S/C18H23NO/c1-2-7-15(8-3-1)17-13-18(20-19-17)11-10-14-6-4-5-9-16(14)12-18/h1-3,7-8,14,16H,4-6,9-13H2
InChIKeyMYDWRMZJKNGYGN-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.54
Rot. Bonds1

About 3'-phenylspiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,5'-4H-1,2-oxazole]

3'-phenylspiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,5'-4H-1,2-oxazole] (PubChem CID 11976350) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3'-phenylspiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,5'-4H-1,2-oxazole].

Molecular Properties

Compound Name3'-phenylspiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,5'-4H-1,2-oxazole]
PubChem CID11976350
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3'-phenylspiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,5'-4H-1,2-oxazole]
SMILESc1ccc(C2=NOC3(CCC4CCCCC4C3)C2)cc1
InChIInChI=1S/C18H23NO/c1-2-7-15(8-3-1)17-13-18(20-19-17)11-10-14-6-4-5-9-16(14)12-18/h1-3,7-8,14,16H,4-6,9-13H2
InChIKeyMYDWRMZJKNGYGN-UHFFFAOYSA-N
XLogP4.54
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3'-phenylspiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,5'-4H-1,2-oxazole]?
The IUPAC name of 3'-phenylspiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,5'-4H-1,2-oxazole] (CID 11976350) is 3'-phenylspiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,5'-4H-1,2-oxazole].
What is the SMILES notation for 3'-phenylspiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,5'-4H-1,2-oxazole]?
The canonical SMILES for 3'-phenylspiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,5'-4H-1,2-oxazole] is c1ccc(C2=NOC3(CCC4CCCCC4C3)C2)cc1.
What is the InChIKey of 3'-phenylspiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,5'-4H-1,2-oxazole]?
The InChIKey is MYDWRMZJKNGYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-7-15(8-3-1)17-13-18(20-19-17)11-10-14-6-4-5-9-16(14)12-18/h1-3,7-8,14,16H,4-6,9-13H2.
What are the key properties of 3'-phenylspiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,5'-4H-1,2-oxazole]?
3'-phenylspiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,5'-4H-1,2-oxazole] has a molecular weight of 269.39 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-phenylspiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,5'-4H-1,2-oxazole] is sourced from PubChem (CID 11976350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).