[2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propylidene]-(2,4,6-trimethylphenyl)phosphane

C25H32NOP — CID 102521635

IUPAC[2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propylidene]-(2,4,6-trimethylphenyl)phosphane
SMILESCc1cc(C)c(/P=C(/c2ccccc2)C(C)(C)C2=N[C@@H](C(C)C)CO2)c(C)c1
InChIInChI=1S/C25H32NOP/c1-16(2)21-15-27-24(26-21)25(6,7)23(20-11-9-8-10-12-20)28-22-18(4)13-17(3)14-19(22)5/h8-14,16,21H,15H2,1-7H3/t21-/m1/s1
InChIKeyDTIKTQJXZJFUKI-OAQYLSRUSA-N
MW393.51 g/mol
LogP5.88
Rot. Bonds5

About [2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propylidene]-(2,4,6-trimethylphenyl)phosphane

[2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propylidene]-(2,4,6-trimethylphenyl)phosphane (PubChem CID 102521635) has the molecular formula C25H32NOP and a molecular weight of 393.51 g/mol. Its IUPAC name is [2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propylidene]-(2,4,6-trimethylphenyl)phosphane.

Molecular Properties

Compound Name[2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propylidene]-(2,4,6-trimethylphenyl)phosphane
PubChem CID102521635
Molecular FormulaC25H32NOP
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC Name[2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propylidene]-(2,4,6-trimethylphenyl)phosphane
SMILESCc1cc(C)c(/P=C(/c2ccccc2)C(C)(C)C2=N[C@@H](C(C)C)CO2)c(C)c1
InChIInChI=1S/C25H32NOP/c1-16(2)21-15-27-24(26-21)25(6,7)23(20-11-9-8-10-12-20)28-22-18(4)13-17(3)14-19(22)5/h8-14,16,21H,15H2,1-7H3/t21-/m1/s1
InChIKeyDTIKTQJXZJFUKI-OAQYLSRUSA-N
XLogP5.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.88
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 [2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propylidene]-(2,4,6-trimethylphenyl)phosphane?
The IUPAC name of [2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propylidene]-(2,4,6-trimethylphenyl)phosphane (CID 102521635) is [2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propylidene]-(2,4,6-trimethylphenyl)phosphane.
What is the SMILES notation for [2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propylidene]-(2,4,6-trimethylphenyl)phosphane?
The canonical SMILES for [2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propylidene]-(2,4,6-trimethylphenyl)phosphane is Cc1cc(C)c(/P=C(/c2ccccc2)C(C)(C)C2=N[C@@H](C(C)C)CO2)c(C)c1.
What is the InChIKey of [2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propylidene]-(2,4,6-trimethylphenyl)phosphane?
The InChIKey is DTIKTQJXZJFUKI-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H32NOP/c1-16(2)21-15-27-24(26-21)25(6,7)23(20-11-9-8-10-12-20)28-22-18(4)13-17(3)14-19(22)5/h8-14,16,21H,15H2,1-7H3/t21-/m1/s1.
What are the key properties of [2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propylidene]-(2,4,6-trimethylphenyl)phosphane?
[2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propylidene]-(2,4,6-trimethylphenyl)phosphane has a molecular weight of 393.51 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-phenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propylidene]-(2,4,6-trimethylphenyl)phosphane is sourced from PubChem (CID 102521635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).