diphenyl-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phenyl]phosphane

C27H30NOP — CID 102473215

IUPACdiphenyl-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phenyl]phosphane
SMILESCC(C)[C@H]1COC(C(C)(C)c2ccccc2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C27H30NOP/c1-20(2)24-19-29-26(28-24)27(3,4)23-17-11-12-18-25(23)30(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-18,20,24H,19H2,1-4H3/t24-/m1/s1
InChIKeyIXFGFYRYWCQJAT-XMMPIXPASA-N
MW415.52 g/mol
LogP5.18
Rot. Bonds6

About diphenyl-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phenyl]phosphane

diphenyl-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phenyl]phosphane (PubChem CID 102473215) has the molecular formula C27H30NOP and a molecular weight of 415.52 g/mol. Its IUPAC name is diphenyl-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phenyl]phosphane.

Molecular Properties

Compound Namediphenyl-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phenyl]phosphane
PubChem CID102473215
Molecular FormulaC27H30NOP
Molecular Weight415.52 g/mol
Exact Mass415.21
IUPAC Namediphenyl-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phenyl]phosphane
SMILESCC(C)[C@H]1COC(C(C)(C)c2ccccc2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C27H30NOP/c1-20(2)24-19-29-26(28-24)27(3,4)23-17-11-12-18-25(23)30(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-18,20,24H,19H2,1-4H3/t24-/m1/s1
InChIKeyIXFGFYRYWCQJAT-XMMPIXPASA-N
XLogP5.18
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.18
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 diphenyl-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phenyl]phosphane?
The IUPAC name of diphenyl-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phenyl]phosphane (CID 102473215) is diphenyl-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phenyl]phosphane.
What is the SMILES notation for diphenyl-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phenyl]phosphane?
The canonical SMILES for diphenyl-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phenyl]phosphane is CC(C)[C@H]1COC(C(C)(C)c2ccccc2P(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of diphenyl-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phenyl]phosphane?
The InChIKey is IXFGFYRYWCQJAT-XMMPIXPASA-N. The full InChI is InChI=1S/C27H30NOP/c1-20(2)24-19-29-26(28-24)27(3,4)23-17-11-12-18-25(23)30(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-18,20,24H,19H2,1-4H3/t24-/m1/s1.
What are the key properties of diphenyl-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phenyl]phosphane?
diphenyl-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phenyl]phosphane has a molecular weight of 415.52 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phenyl]phosphane is sourced from PubChem (CID 102473215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).