[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-bis(2-methylphenyl)phosphane

C27H30NOP — CID 10975373

IUPAC[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-bis(2-methylphenyl)phosphane
SMILESCc1ccccc1P(c1ccccc1C)c1ccccc1C1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C27H30NOP/c1-19-12-6-9-15-22(19)30(23-16-10-7-13-20(23)2)24-17-11-8-14-21(24)26-28-25(18-29-26)27(3,4)5/h6-17,25H,18H2,1-5H3/t25-/m1/s1
InChIKeyPWDWTBOBIGNWSX-RUZDIDTESA-N
MW415.52 g/mol
LogP5.25
Rot. Bonds4

About [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-bis(2-methylphenyl)phosphane

[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-bis(2-methylphenyl)phosphane (PubChem CID 10975373) has the molecular formula C27H30NOP and a molecular weight of 415.52 g/mol. Its IUPAC name is [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-bis(2-methylphenyl)phosphane.

Molecular Properties

Compound Name[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-bis(2-methylphenyl)phosphane
PubChem CID10975373
Molecular FormulaC27H30NOP
Molecular Weight415.52 g/mol
Exact Mass415.21
IUPAC Name[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-bis(2-methylphenyl)phosphane
SMILESCc1ccccc1P(c1ccccc1C)c1ccccc1C1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C27H30NOP/c1-19-12-6-9-15-22(19)30(23-16-10-7-13-20(23)2)24-17-11-8-14-21(24)26-28-25(18-29-26)27(3,4)5/h6-17,25H,18H2,1-5H3/t25-/m1/s1
InChIKeyPWDWTBOBIGNWSX-RUZDIDTESA-N
XLogP5.25
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.25
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-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-bis(2-methylphenyl)phosphane?
The IUPAC name of [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-bis(2-methylphenyl)phosphane (CID 10975373) is [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-bis(2-methylphenyl)phosphane.
What is the SMILES notation for [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-bis(2-methylphenyl)phosphane?
The canonical SMILES for [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-bis(2-methylphenyl)phosphane is Cc1ccccc1P(c1ccccc1C)c1ccccc1C1=N[C@@H](C(C)(C)C)CO1.
What is the InChIKey of [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-bis(2-methylphenyl)phosphane?
The InChIKey is PWDWTBOBIGNWSX-RUZDIDTESA-N. The full InChI is InChI=1S/C27H30NOP/c1-19-12-6-9-15-22(19)30(23-16-10-7-13-20(23)2)24-17-11-8-14-21(24)26-28-25(18-29-26)27(3,4)5/h6-17,25H,18H2,1-5H3/t25-/m1/s1.
What are the key properties of [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-bis(2-methylphenyl)phosphane?
[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-bis(2-methylphenyl)phosphane has a molecular weight of 415.52 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-bis(2-methylphenyl)phosphane is sourced from PubChem (CID 10975373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).