bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-phenylphosphane

C14H17N2O2P — CID 91047752

IUPACbis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-phenylphosphane
SMILESc1ccc(P(CC2=NCCO2)CC2=NCCO2)cc1
InChIInChI=1S/C14H17N2O2P/c1-2-4-12(5-3-1)19(10-13-15-6-8-17-13)11-14-16-7-9-18-14/h1-5H,6-11H2
InChIKeyIYIUAUNCZADKPM-UHFFFAOYSA-N
MW276.28 g/mol
LogP1.65
Rot. Bonds5

About bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-phenylphosphane

bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-phenylphosphane (PubChem CID 91047752) has the molecular formula C14H17N2O2P and a molecular weight of 276.28 g/mol. Its IUPAC name is bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-phenylphosphane.

Molecular Properties

Compound Namebis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-phenylphosphane
PubChem CID91047752
Molecular FormulaC14H17N2O2P
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Namebis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-phenylphosphane
SMILESc1ccc(P(CC2=NCCO2)CC2=NCCO2)cc1
InChIInChI=1S/C14H17N2O2P/c1-2-4-12(5-3-1)19(10-13-15-6-8-17-13)11-14-16-7-9-18-14/h1-5H,6-11H2
InChIKeyIYIUAUNCZADKPM-UHFFFAOYSA-N
XLogP1.65
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Oxazole, 2-[(diphenylphosphino)methyl]-4,5-dihydro-
CID 11400209
Bis(4,5-dihydro-1,3-oxazol-2-yl)-dihydroxy-phenyl-lambda5-phosphane
CID 90783243
Bis(4,5-dihydro-1,3-oxazol-2-yl)-phenylborane
CID 91084760
Oxazolinylphenylphosphine
CID 101509790
{(Oxazolin-2-yl)methyl}diphenylphosphine oxide
CID 101539496
Benzene;bis(2,4,5-trimethyl-4,5-dihydro-1,3-oxazole)
CID 53712832
2-(4,5-Dihydro-1,3-oxazol-2-yl)ethyl-diphenylphosphane
CID 53965773
2-(Diphenylphosphanyl)-4,5-dihydro-1,3-oxazole
CID 54273674
bis[2-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]-phenylphosphane
CID 57823191
[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane
CID 59919086
2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]ethyl-diphenylphosphane
CID 102022239
4,5-Dihydro-1,3-oxazol-2-ylmethyl(triphenyl)phosphanium chloride
CID 122585897

Frequently Asked Questions

What is the IUPAC name of bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-phenylphosphane?
The IUPAC name of bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-phenylphosphane (CID 91047752) is bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-phenylphosphane.
What is the SMILES notation for bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-phenylphosphane?
The canonical SMILES for bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-phenylphosphane is c1ccc(P(CC2=NCCO2)CC2=NCCO2)cc1.
What is the InChIKey of bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-phenylphosphane?
The InChIKey is IYIUAUNCZADKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N2O2P/c1-2-4-12(5-3-1)19(10-13-15-6-8-17-13)11-14-16-7-9-18-14/h1-5H,6-11H2.
What are the key properties of bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-phenylphosphane?
bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-phenylphosphane has a molecular weight of 276.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-phenylphosphane is sourced from PubChem (CID 91047752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).