bis[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-propan-2-ylphosphane

C23H27N2O2P — CID 102387210

IUPACbis[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-propan-2-ylphosphane
SMILESCC(C)P(c1ccccc1C1=N[C@@H](C)CO1)c1ccccc1C1=N[C@@H](C)CO1
InChIInChI=1S/C23H27N2O2P/c1-15(2)28(20-11-7-5-9-18(20)22-24-16(3)13-26-22)21-12-8-6-10-19(21)23-25-17(4)14-27-23/h5-12,15-17H,13-14H2,1-4H3/t16-,17-/m0/s1
InChIKeyQHVYZUAXJNKSQG-IRXDYDNUSA-N
MW394.46 g/mol
LogP3.86
Rot. Bonds5

About bis[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-propan-2-ylphosphane

bis[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-propan-2-ylphosphane (PubChem CID 102387210) has the molecular formula C23H27N2O2P and a molecular weight of 394.46 g/mol. Its IUPAC name is bis[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-propan-2-ylphosphane.

Molecular Properties

Compound Namebis[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-propan-2-ylphosphane
PubChem CID102387210
Molecular FormulaC23H27N2O2P
Molecular Weight394.46 g/mol
Exact Mass394.18
IUPAC Namebis[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-propan-2-ylphosphane
SMILESCC(C)P(c1ccccc1C1=N[C@@H](C)CO1)c1ccccc1C1=N[C@@H](C)CO1
InChIInChI=1S/C23H27N2O2P/c1-15(2)28(20-11-7-5-9-18(20)22-24-16(3)13-26-22)21-12-8-6-10-19(21)23-25-17(4)14-27-23/h5-12,15-17H,13-14H2,1-4H3/t16-,17-/m0/s1
InChIKeyQHVYZUAXJNKSQG-IRXDYDNUSA-N
XLogP3.86
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
CID 59093598
(4R)-4-methyl-2-[2,4,5-tris[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 102128598
(1R)-1-[(4R)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanol
CID 11494541
[2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane
CID 59863248
4-propan-2-yl-2-[2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 123940471
4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]benzene-1,3-diol
CID 137264882
dichlororuthenium;diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;triphenylphosphane
CID 11040094
(4S)-4-ethyl-2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 101098684
[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane
CID 176507761
(4R)-4-ethyl-2-[2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 101157322
[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-bis[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]phosphane
CID 101407727
[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
CID 127256029

Frequently Asked Questions

What is the IUPAC name of bis[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-propan-2-ylphosphane?
The IUPAC name of bis[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-propan-2-ylphosphane (CID 102387210) is bis[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-propan-2-ylphosphane.
What is the SMILES notation for bis[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-propan-2-ylphosphane?
The canonical SMILES for bis[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-propan-2-ylphosphane is CC(C)P(c1ccccc1C1=N[C@@H](C)CO1)c1ccccc1C1=N[C@@H](C)CO1.
What is the InChIKey of bis[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-propan-2-ylphosphane?
The InChIKey is QHVYZUAXJNKSQG-IRXDYDNUSA-N. The full InChI is InChI=1S/C23H27N2O2P/c1-15(2)28(20-11-7-5-9-18(20)22-24-16(3)13-26-22)21-12-8-6-10-19(21)23-25-17(4)14-27-23/h5-12,15-17H,13-14H2,1-4H3/t16-,17-/m0/s1.
What are the key properties of bis[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-propan-2-ylphosphane?
bis[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-propan-2-ylphosphane has a molecular weight of 394.46 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-propan-2-ylphosphane is sourced from PubChem (CID 102387210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).