[(Z)-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)methyl]-diphenylphosphane

C18H20NOP — CID 101051529

IUPAC[(Z)-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)methyl]-diphenylphosphane
SMILESCC1(C)CO/C(=C\P(c2ccccc2)c2ccccc2)N1
InChIInChI=1S/C18H20NOP/c1-18(2)14-20-17(19-18)13-21(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,19H,14H2,1-2H3/b17-13-
InChIKeyDGYPAVWRAQVKFE-LGMDPLHJSA-N
MW297.34 g/mol
LogP3.32
Rot. Bonds3

About [(Z)-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)methyl]-diphenylphosphane

[(Z)-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)methyl]-diphenylphosphane (PubChem CID 101051529) has the molecular formula C18H20NOP and a molecular weight of 297.34 g/mol. Its IUPAC name is [(Z)-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)methyl]-diphenylphosphane.

Molecular Properties

Compound Name[(Z)-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)methyl]-diphenylphosphane
PubChem CID101051529
Molecular FormulaC18H20NOP
Molecular Weight297.34 g/mol
Exact Mass297.13
IUPAC Name[(Z)-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)methyl]-diphenylphosphane
SMILESCC1(C)CO/C(=C\P(c2ccccc2)c2ccccc2)N1
InChIInChI=1S/C18H20NOP/c1-18(2)14-20-17(19-18)13-21(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,19H,14H2,1-2H3/b17-13-
InChIKeyDGYPAVWRAQVKFE-LGMDPLHJSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylethanone
CID 10932882
3,3-dimethyl-2,4-dihydro-1,4-benzoxazine;ethane
CID 142860963
4,5-bis(diphenylphosphanylmethylidene)imidazolidin-2-one
CID 142677779
2,2-dimethyl-1,3-dihydrobenzo[f][1,4]benzoxazine
CID 84621824
3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-ol
CID 115095335
(E,2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylhex-3-ene-1,5-dione
CID 15350552
benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
(4S)-4-(2-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 95866457
8-methoxy-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine
CID 115095090
3,3,7-trimethyl-2,4-dihydro-1,4-benzoxazine
CID 84618421
3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-7-amine
CID 84618446
(5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxol-4-yl)-diphenylphosphane
CID 141003274

Frequently Asked Questions

What is the IUPAC name of [(Z)-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)methyl]-diphenylphosphane?
The IUPAC name of [(Z)-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)methyl]-diphenylphosphane (CID 101051529) is [(Z)-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)methyl]-diphenylphosphane.
What is the SMILES notation for [(Z)-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)methyl]-diphenylphosphane?
The canonical SMILES for [(Z)-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)methyl]-diphenylphosphane is CC1(C)CO/C(=C\P(c2ccccc2)c2ccccc2)N1.
What is the InChIKey of [(Z)-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)methyl]-diphenylphosphane?
The InChIKey is DGYPAVWRAQVKFE-LGMDPLHJSA-N. The full InChI is InChI=1S/C18H20NOP/c1-18(2)14-20-17(19-18)13-21(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,19H,14H2,1-2H3/b17-13-.
What are the key properties of [(Z)-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)methyl]-diphenylphosphane?
[(Z)-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)methyl]-diphenylphosphane has a molecular weight of 297.34 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)methyl]-diphenylphosphane is sourced from PubChem (CID 101051529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).