3-[(Z)-[(1S,4S,5R)-1,4-dimethyl-5-phenyl-9-oxabicyclo[3.3.1]nonan-2-ylidene]methyl]-1,3-oxazolidin-2-one

C20H25NO3 — CID 135062058

IUPAC3-[(Z)-[(1S,4S,5R)-1,4-dimethyl-5-phenyl-9-oxabicyclo[3.3.1]nonan-2-ylidene]methyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1C/C(=C/N2CCOC2=O)[C@]2(C)CCC[C@@]1(c1ccccc1)O2
InChIInChI=1S/C20H25NO3/c1-15-13-17(14-21-11-12-23-18(21)22)19(2)9-6-10-20(15,24-19)16-7-4-3-5-8-16/h3-5,7-8,14-15H,6,9-13H2,1-2H3/b17-14-/t15-,19-,20+/m0/s1
InChIKeyWLWRRRFQWKIGTJ-QPUSQACOSA-N
MW327.42 g/mol
LogP4.22
Rot. Bonds2

About 3-[(Z)-[(1S,4S,5R)-1,4-dimethyl-5-phenyl-9-oxabicyclo[3.3.1]nonan-2-ylidene]methyl]-1,3-oxazolidin-2-one

3-[(Z)-[(1S,4S,5R)-1,4-dimethyl-5-phenyl-9-oxabicyclo[3.3.1]nonan-2-ylidene]methyl]-1,3-oxazolidin-2-one (PubChem CID 135062058) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 3-[(Z)-[(1S,4S,5R)-1,4-dimethyl-5-phenyl-9-oxabicyclo[3.3.1]nonan-2-ylidene]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(Z)-[(1S,4S,5R)-1,4-dimethyl-5-phenyl-9-oxabicyclo[3.3.1]nonan-2-ylidene]methyl]-1,3-oxazolidin-2-one
PubChem CID135062058
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name3-[(Z)-[(1S,4S,5R)-1,4-dimethyl-5-phenyl-9-oxabicyclo[3.3.1]nonan-2-ylidene]methyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1C/C(=C/N2CCOC2=O)[C@]2(C)CCC[C@@]1(c1ccccc1)O2
InChIInChI=1S/C20H25NO3/c1-15-13-17(14-21-11-12-23-18(21)22)19(2)9-6-10-20(15,24-19)16-7-4-3-5-8-16/h3-5,7-8,14-15H,6,9-13H2,1-2H3/b17-14-/t15-,19-,20+/m0/s1
InChIKeyWLWRRRFQWKIGTJ-QPUSQACOSA-N
XLogP4.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(Z)-[(1S,4S,5R)-1,4-dimethyl-5-phenyl-9-oxabicyclo[3.3.1]nonan-2-ylidene]methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S,6R)-4,6-diphenyl-5-oxa-1,9-diazatetracyclo[7.2.1.04,11.06,10]dodecan-12-one
CID 177493805
3-[(E)-2-phenylprop-1-enyl]-1,3-oxazolidin-2-one
CID 101211960
3-[(E)-2-(2-methylphenyl)ethenyl]-1,3-oxazolidin-2-one
CID 122402062
CID 102302966
CID 102302966
(6R)-6-methyl-6-phenyloxan-2-one
CID 100971522
3-[(E)-2-[dimethyl(phenyl)silyl]-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 132504006
3,3,7-trimethyl-7-phenyldioxepane
CID 12716602
3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 97125748
3-[6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexa-1,2-dienyl]-1,3-oxazolidin-2-one
CID 135023889
3-methyl-3-phenyloxolan-2-one
CID 15937425
(4aR,8aS)-4-methyl-8a-phenyl-5,6,7,8-tetrahydro-4aH-benzo[b][1,4]oxazin-3-one
CID 56843574
3-[(Z)-2-(4-methylphenyl)ethenyl]-1,3-oxazolidin-2-one
CID 73056739

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-[(1S,4S,5R)-1,4-dimethyl-5-phenyl-9-oxabicyclo[3.3.1]nonan-2-ylidene]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(Z)-[(1S,4S,5R)-1,4-dimethyl-5-phenyl-9-oxabicyclo[3.3.1]nonan-2-ylidene]methyl]-1,3-oxazolidin-2-one (CID 135062058) is 3-[(Z)-[(1S,4S,5R)-1,4-dimethyl-5-phenyl-9-oxabicyclo[3.3.1]nonan-2-ylidene]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(Z)-[(1S,4S,5R)-1,4-dimethyl-5-phenyl-9-oxabicyclo[3.3.1]nonan-2-ylidene]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(Z)-[(1S,4S,5R)-1,4-dimethyl-5-phenyl-9-oxabicyclo[3.3.1]nonan-2-ylidene]methyl]-1,3-oxazolidin-2-one is C[C@H]1C/C(=C/N2CCOC2=O)[C@]2(C)CCC[C@@]1(c1ccccc1)O2.
What is the InChIKey of 3-[(Z)-[(1S,4S,5R)-1,4-dimethyl-5-phenyl-9-oxabicyclo[3.3.1]nonan-2-ylidene]methyl]-1,3-oxazolidin-2-one?
The InChIKey is WLWRRRFQWKIGTJ-QPUSQACOSA-N. The full InChI is InChI=1S/C20H25NO3/c1-15-13-17(14-21-11-12-23-18(21)22)19(2)9-6-10-20(15,24-19)16-7-4-3-5-8-16/h3-5,7-8,14-15H,6,9-13H2,1-2H3/b17-14-/t15-,19-,20+/m0/s1.
What are the key properties of 3-[(Z)-[(1S,4S,5R)-1,4-dimethyl-5-phenyl-9-oxabicyclo[3.3.1]nonan-2-ylidene]methyl]-1,3-oxazolidin-2-one?
3-[(Z)-[(1S,4S,5R)-1,4-dimethyl-5-phenyl-9-oxabicyclo[3.3.1]nonan-2-ylidene]methyl]-1,3-oxazolidin-2-one has a molecular weight of 327.42 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-[(1S,4S,5R)-1,4-dimethyl-5-phenyl-9-oxabicyclo[3.3.1]nonan-2-ylidene]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135062058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).