[2,4-dimethyl-3-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)pentan-3-yl]oxy-diphenylphosphane

C23H30NO2P — CID 20596638

IUPAC[2,4-dimethyl-3-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)pentan-3-yl]oxy-diphenylphosphane
SMILESCC1=NC(C(OP(c2ccccc2)c2ccccc2)(C(C)C)C(C)C)CO1
InChIInChI=1S/C23H30NO2P/c1-17(2)23(18(3)4,22-16-25-19(5)24-22)26-27(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,17-18,22H,16H2,1-5H3
InChIKeyUZZBUCUVDPMHTG-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.92
Rot. Bonds7

About [2,4-dimethyl-3-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)pentan-3-yl]oxy-diphenylphosphane

[2,4-dimethyl-3-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)pentan-3-yl]oxy-diphenylphosphane (PubChem CID 20596638) has the molecular formula C23H30NO2P and a molecular weight of 383.47 g/mol. Its IUPAC name is [2,4-dimethyl-3-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)pentan-3-yl]oxy-diphenylphosphane.

Molecular Properties

Compound Name[2,4-dimethyl-3-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)pentan-3-yl]oxy-diphenylphosphane
PubChem CID20596638
Molecular FormulaC23H30NO2P
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name[2,4-dimethyl-3-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)pentan-3-yl]oxy-diphenylphosphane
SMILESCC1=NC(C(OP(c2ccccc2)c2ccccc2)(C(C)C)C(C)C)CO1
InChIInChI=1S/C23H30NO2P/c1-17(2)23(18(3)4,22-16-25-19(5)24-22)26-27(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,17-18,22H,16H2,1-5H3
InChIKeyUZZBUCUVDPMHTG-UHFFFAOYSA-N
XLogP4.92
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane
CID 89264372
2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yloxy-diphenylphosphane
CID 153955218
diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yloxy]phosphane
CID 12149616
carbanide;diphenyl-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phosphanium;iridium
CID 135085548
2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yloxy-diphenylphosphane
CID 12149615
Diphenyl-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane
CID 15464547
Diphenyl-[5-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopenta-1,3-dien-1-yl]phosphane
CID 22981726
[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane
CID 57668190
diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane
CID 58510248
diphenyl-[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane
CID 58644965
Diphenyl-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]phosphane
CID 58644967
diphenyl-[(2S)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane
CID 59045145

Frequently Asked Questions

What is the IUPAC name of [2,4-dimethyl-3-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)pentan-3-yl]oxy-diphenylphosphane?
The IUPAC name of [2,4-dimethyl-3-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)pentan-3-yl]oxy-diphenylphosphane (CID 20596638) is [2,4-dimethyl-3-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)pentan-3-yl]oxy-diphenylphosphane.
What is the SMILES notation for [2,4-dimethyl-3-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)pentan-3-yl]oxy-diphenylphosphane?
The canonical SMILES for [2,4-dimethyl-3-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)pentan-3-yl]oxy-diphenylphosphane is CC1=NC(C(OP(c2ccccc2)c2ccccc2)(C(C)C)C(C)C)CO1.
What is the InChIKey of [2,4-dimethyl-3-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)pentan-3-yl]oxy-diphenylphosphane?
The InChIKey is UZZBUCUVDPMHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30NO2P/c1-17(2)23(18(3)4,22-16-25-19(5)24-22)26-27(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,17-18,22H,16H2,1-5H3.
What are the key properties of [2,4-dimethyl-3-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)pentan-3-yl]oxy-diphenylphosphane?
[2,4-dimethyl-3-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)pentan-3-yl]oxy-diphenylphosphane has a molecular weight of 383.47 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dimethyl-3-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)pentan-3-yl]oxy-diphenylphosphane is sourced from PubChem (CID 20596638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).