[1-[(2R)-oxan-2-yl]-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane

C31H33N2O2P — CID 57381053

IUPAC[1-[(2R)-oxan-2-yl]-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane
SMILESCC(C)[C@H]1COC(c2c(P(c3ccccc3)c3ccccc3)n([C@H]3CCCCO3)c3ccccc23)=N1
InChIInChI=1S/C31H33N2O2P/c1-22(2)26-21-35-30(32-26)29-25-17-9-10-18-27(25)33(28-19-11-12-20-34-28)31(29)36(23-13-5-3-6-14-23)24-15-7-4-8-16-24/h3-10,13-18,22,26,28H,11-12,19-21H2,1-2H3/t26-,28-/m1/s1
InChIKeyRAZWTYQEYWLBSQ-IXCJQBJRSA-N
MW496.59 g/mol
LogP5.90
Rot. Bonds6

About [1-[(2R)-oxan-2-yl]-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane

[1-[(2R)-oxan-2-yl]-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane (PubChem CID 57381053) has the molecular formula C31H33N2O2P and a molecular weight of 496.59 g/mol. Its IUPAC name is [1-[(2R)-oxan-2-yl]-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[1-[(2R)-oxan-2-yl]-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane
PubChem CID57381053
Molecular FormulaC31H33N2O2P
Molecular Weight496.59 g/mol
Exact Mass496.23
IUPAC Name[1-[(2R)-oxan-2-yl]-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane
SMILESCC(C)[C@H]1COC(c2c(P(c3ccccc3)c3ccccc3)n([C@H]3CCCCO3)c3ccccc23)=N1
InChIInChI=1S/C31H33N2O2P/c1-22(2)26-21-35-30(32-26)29-25-17-9-10-18-27(25)33(28-19-11-12-20-34-28)31(29)36(23-13-5-3-6-14-23)24-15-7-4-8-16-24/h3-10,13-18,22,26,28H,11-12,19-21H2,1-2H3/t26-,28-/m1/s1
InChIKeyRAZWTYQEYWLBSQ-IXCJQBJRSA-N
XLogP5.90
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.59
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(2R)-oxan-2-yl]-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane?
The IUPAC name of [1-[(2R)-oxan-2-yl]-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane (CID 57381053) is [1-[(2R)-oxan-2-yl]-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane.
What is the SMILES notation for [1-[(2R)-oxan-2-yl]-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane?
The canonical SMILES for [1-[(2R)-oxan-2-yl]-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane is CC(C)[C@H]1COC(c2c(P(c3ccccc3)c3ccccc3)n([C@H]3CCCCO3)c3ccccc23)=N1.
What is the InChIKey of [1-[(2R)-oxan-2-yl]-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane?
The InChIKey is RAZWTYQEYWLBSQ-IXCJQBJRSA-N. The full InChI is InChI=1S/C31H33N2O2P/c1-22(2)26-21-35-30(32-26)29-25-17-9-10-18-27(25)33(28-19-11-12-20-34-28)31(29)36(23-13-5-3-6-14-23)24-15-7-4-8-16-24/h3-10,13-18,22,26,28H,11-12,19-21H2,1-2H3/t26-,28-/m1/s1.
What are the key properties of [1-[(2R)-oxan-2-yl]-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane?
[1-[(2R)-oxan-2-yl]-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane has a molecular weight of 496.59 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R)-oxan-2-yl]-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane is sourced from PubChem (CID 57381053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).