[3-methyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]but-1-en-2-yl]-diphenylphosphane

C23H28NOP — CID 102019213

IUPAC[3-methyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]but-1-en-2-yl]-diphenylphosphane
SMILESC=C(P(c1ccccc1)c1ccccc1)C(C)(C)C1=N[C@@H](C(C)C)CO1
InChIInChI=1S/C23H28NOP/c1-17(2)21-16-25-22(24-21)23(4,5)18(3)26(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17,21H,3,16H2,1-2,4-5H3/t21-/m1/s1
InChIKeyQDFMSPMJYWEDOM-OAQYLSRUSA-N
MW365.46 g/mol
LogP5.11
Rot. Bonds6

About [3-methyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]but-1-en-2-yl]-diphenylphosphane

[3-methyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]but-1-en-2-yl]-diphenylphosphane (PubChem CID 102019213) has the molecular formula C23H28NOP and a molecular weight of 365.46 g/mol. Its IUPAC name is [3-methyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]but-1-en-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[3-methyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]but-1-en-2-yl]-diphenylphosphane
PubChem CID102019213
Molecular FormulaC23H28NOP
Molecular Weight365.46 g/mol
Exact Mass365.19
IUPAC Name[3-methyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]but-1-en-2-yl]-diphenylphosphane
SMILESC=C(P(c1ccccc1)c1ccccc1)C(C)(C)C1=N[C@@H](C(C)C)CO1
InChIInChI=1S/C23H28NOP/c1-17(2)21-16-25-22(24-21)23(4,5)18(3)26(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17,21H,3,16H2,1-2,4-5H3/t21-/m1/s1
InChIKeyQDFMSPMJYWEDOM-OAQYLSRUSA-N
XLogP5.11
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.46
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]but-1-en-2-yl]-diphenylphosphane?
The IUPAC name of [3-methyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]but-1-en-2-yl]-diphenylphosphane (CID 102019213) is [3-methyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]but-1-en-2-yl]-diphenylphosphane.
What is the SMILES notation for [3-methyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]but-1-en-2-yl]-diphenylphosphane?
The canonical SMILES for [3-methyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]but-1-en-2-yl]-diphenylphosphane is C=C(P(c1ccccc1)c1ccccc1)C(C)(C)C1=N[C@@H](C(C)C)CO1.
What is the InChIKey of [3-methyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]but-1-en-2-yl]-diphenylphosphane?
The InChIKey is QDFMSPMJYWEDOM-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28NOP/c1-17(2)21-16-25-22(24-21)23(4,5)18(3)26(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17,21H,3,16H2,1-2,4-5H3/t21-/m1/s1.
What are the key properties of [3-methyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]but-1-en-2-yl]-diphenylphosphane?
[3-methyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]but-1-en-2-yl]-diphenylphosphane has a molecular weight of 365.46 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]but-1-en-2-yl]-diphenylphosphane is sourced from PubChem (CID 102019213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).