[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3-chlorophenyl]-diphenylphosphane

C25H25ClNOP — CID 155290114

IUPAC[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3-chlorophenyl]-diphenylphosphane
SMILESCC(C)(C)[C@@H]1COC(c2c(Cl)cccc2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C25H25ClNOP/c1-25(2,3)22-17-28-24(27-22)23-20(26)15-10-16-21(23)29(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-16,22H,17H2,1-3H3/t22-/m0/s1
InChIKeyFNJPDVKPFPKWAR-QFIPXVFZSA-N
MW421.91 g/mol
LogP5.29
Rot. Bonds4

About [2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3-chlorophenyl]-diphenylphosphane

[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3-chlorophenyl]-diphenylphosphane (PubChem CID 155290114) has the molecular formula C25H25ClNOP and a molecular weight of 421.91 g/mol. Its IUPAC name is [2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3-chlorophenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3-chlorophenyl]-diphenylphosphane
PubChem CID155290114
Molecular FormulaC25H25ClNOP
Molecular Weight421.91 g/mol
Exact Mass421.14
IUPAC Name[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3-chlorophenyl]-diphenylphosphane
SMILESCC(C)(C)[C@@H]1COC(c2c(Cl)cccc2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C25H25ClNOP/c1-25(2,3)22-17-28-24(27-22)23-20(26)15-10-16-21(23)29(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-16,22H,17H2,1-3H3/t22-/m0/s1
InChIKeyFNJPDVKPFPKWAR-QFIPXVFZSA-N
XLogP5.29
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.91
LogP ≤ 55.29
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-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3-chlorophenyl]-diphenylphosphane?
The IUPAC name of [2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3-chlorophenyl]-diphenylphosphane (CID 155290114) is [2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3-chlorophenyl]-diphenylphosphane.
What is the SMILES notation for [2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3-chlorophenyl]-diphenylphosphane?
The canonical SMILES for [2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3-chlorophenyl]-diphenylphosphane is CC(C)(C)[C@@H]1COC(c2c(Cl)cccc2P(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of [2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3-chlorophenyl]-diphenylphosphane?
The InChIKey is FNJPDVKPFPKWAR-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H25ClNOP/c1-25(2,3)22-17-28-24(27-22)23-20(26)15-10-16-21(23)29(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-16,22H,17H2,1-3H3/t22-/m0/s1.
What are the key properties of [2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3-chlorophenyl]-diphenylphosphane?
[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3-chlorophenyl]-diphenylphosphane has a molecular weight of 421.91 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3-chlorophenyl]-diphenylphosphane is sourced from PubChem (CID 155290114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).