4-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)heptan-4-yloxy-diphenylphosphane

C23H30NO2P — CID 20596628

IUPAC4-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)heptan-4-yloxy-diphenylphosphane
SMILESCCCC(CCC)(OP(c1ccccc1)c1ccccc1)C1COC(C)=N1
InChIInChI=1S/C23H30NO2P/c1-4-16-23(17-5-2,22-18-25-19(3)24-22)26-27(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,22H,4-5,16-18H2,1-3H3
InChIKeyRDEZWTDPFIKRRU-UHFFFAOYSA-N
MW383.47 g/mol
LogP5.21
Rot. Bonds9

About 4-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)heptan-4-yloxy-diphenylphosphane

4-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)heptan-4-yloxy-diphenylphosphane (PubChem CID 20596628) has the molecular formula C23H30NO2P and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)heptan-4-yloxy-diphenylphosphane.

Molecular Properties

Compound Name4-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)heptan-4-yloxy-diphenylphosphane
PubChem CID20596628
Molecular FormulaC23H30NO2P
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name4-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)heptan-4-yloxy-diphenylphosphane
SMILESCCCC(CCC)(OP(c1ccccc1)c1ccccc1)C1COC(C)=N1
InChIInChI=1S/C23H30NO2P/c1-4-16-23(17-5-2,22-18-25-19(3)24-22)26-27(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,22H,4-5,16-18H2,1-3H3
InChIKeyRDEZWTDPFIKRRU-UHFFFAOYSA-N
XLogP5.21
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.47
LogP ≤ 55.21
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-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yloxy-bis(2-methylphenyl)phosphane
CID 11182542
diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yloxy]phosphane
CID 12149616
[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane
CID 57668190
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
[2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane
CID 59101158
[2,4-dimethyl-3-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]pentan-3-yl]oxy-diphenylphosphane
CID 59101166
[2,6-dimethyl-4-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]heptan-4-yl]oxy-diphenylphosphane
CID 59101175
4-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]heptan-4-yloxy-diphenylphosphane
CID 59101178
diphenyl-[(1S)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane
CID 59736139

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)heptan-4-yloxy-diphenylphosphane?
The IUPAC name of 4-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)heptan-4-yloxy-diphenylphosphane (CID 20596628) is 4-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)heptan-4-yloxy-diphenylphosphane.
What is the SMILES notation for 4-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)heptan-4-yloxy-diphenylphosphane?
The canonical SMILES for 4-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)heptan-4-yloxy-diphenylphosphane is CCCC(CCC)(OP(c1ccccc1)c1ccccc1)C1COC(C)=N1.
What is the InChIKey of 4-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)heptan-4-yloxy-diphenylphosphane?
The InChIKey is RDEZWTDPFIKRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30NO2P/c1-4-16-23(17-5-2,22-18-25-19(3)24-22)26-27(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,22H,4-5,16-18H2,1-3H3.
What are the key properties of 4-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)heptan-4-yloxy-diphenylphosphane?
4-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)heptan-4-yloxy-diphenylphosphane has a molecular weight of 383.47 g/mol, XLogP of 5.21, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)heptan-4-yloxy-diphenylphosphane is sourced from PubChem (CID 20596628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).