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

C24H30NOP — CID 58626965

IUPAC[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane
SMILESCC(C)(C)[C@H]1COC(C2CCCC2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C24H30NOP/c1-24(2,3)22-17-26-23(25-22)20-15-10-16-21(20)27(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20-22H,10,15-17H2,1-3H3/t20?,21?,22-/m1/s1
InChIKeyVGGHEUKFKGJEGL-LZBANZJXSA-N
MW379.48 g/mol
LogP5.13
Rot. Bonds4

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

[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane (PubChem CID 58626965) has the molecular formula C24H30NOP and a molecular weight of 379.48 g/mol. Its IUPAC name is [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane
PubChem CID58626965
Molecular FormulaC24H30NOP
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane
SMILESCC(C)(C)[C@H]1COC(C2CCCC2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C24H30NOP/c1-24(2,3)22-17-26-23(25-22)20-15-10-16-21(20)27(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20-22H,10,15-17H2,1-3H3/t20?,21?,22-/m1/s1
InChIKeyVGGHEUKFKGJEGL-LZBANZJXSA-N
XLogP5.13
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 55.13
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]cyclopentyl]-diphenylphosphane?
The IUPAC name of [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane (CID 58626965) is [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane.
What is the SMILES notation for [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane?
The canonical SMILES for [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane is CC(C)(C)[C@H]1COC(C2CCCC2P(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane?
The InChIKey is VGGHEUKFKGJEGL-LZBANZJXSA-N. The full InChI is InChI=1S/C24H30NOP/c1-24(2,3)22-17-26-23(25-22)20-15-10-16-21(20)27(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20-22H,10,15-17H2,1-3H3/t20?,21?,22-/m1/s1.
What are the key properties of [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane?
[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylphosphane has a molecular weight of 379.48 g/mol, XLogP of 5.13, 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]cyclopentyl]-diphenylphosphane is sourced from PubChem (CID 58626965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).