diphenyl-[(1S,3S,4R)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]phosphane

C24H29N2OP — CID 134992492

IUPACdiphenyl-[(1S,3S,4R)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]phosphane
SMILESCC(C)[C@H]1COC([C@@H]2[C@@H]3CC[C@@H](C3)N2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C24H29N2OP/c1-17(2)22-16-27-24(25-22)23-18-13-14-19(15-18)26(23)28(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,17-19,22-23H,13-16H2,1-2H3/t18-,19+,22-,23+/m1/s1
InChIKeyXKDPDTYRCCFEFG-VNHKHXMHSA-N
MW392.48 g/mol
LogP4.34
Rot. Bonds5

About diphenyl-[(1S,3S,4R)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]phosphane

diphenyl-[(1S,3S,4R)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]phosphane (PubChem CID 134992492) has the molecular formula C24H29N2OP and a molecular weight of 392.48 g/mol. Its IUPAC name is diphenyl-[(1S,3S,4R)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]phosphane.

Molecular Properties

Compound Namediphenyl-[(1S,3S,4R)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]phosphane
PubChem CID134992492
Molecular FormulaC24H29N2OP
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Namediphenyl-[(1S,3S,4R)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]phosphane
SMILESCC(C)[C@H]1COC([C@@H]2[C@@H]3CC[C@@H](C3)N2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C24H29N2OP/c1-17(2)22-16-27-24(25-22)23-18-13-14-19(15-18)26(23)28(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,17-19,22-23H,13-16H2,1-2H3/t18-,19+,22-,23+/m1/s1
InChIKeyXKDPDTYRCCFEFG-VNHKHXMHSA-N
XLogP4.34
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-azabicyclo[2.2.1]heptan-2-yl]phosphane
CID 70877075
[(1S,3R,4R)-3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-diphenylphosphane
CID 102182732
diphenyl-[(1S)-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]phosphane
CID 121477935
diphenyl-[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phosphane
CID 170897211
(4S)-4-propan-2-yl-2-[(15S,16S)-16-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]-4,5-dihydro-1,3-oxazole
CID 102113883
(4S)-2-[(2S)-3,3-diphenyloxiran-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 101117326
diphenyl-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopenta-1,3-dien-1-yl]phosphane
CID 78076218
dichlororuthenium;diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;triphenylphosphane
CID 11040094
tert-butyl 4-diphenylphosphanyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 70877080
(4S)-2-[phenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 102082599
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
(4S)-2-[3-phenyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 102579629

Frequently Asked Questions

What is the IUPAC name of diphenyl-[(1S,3S,4R)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]phosphane?
The IUPAC name of diphenyl-[(1S,3S,4R)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]phosphane (CID 134992492) is diphenyl-[(1S,3S,4R)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]phosphane.
What is the SMILES notation for diphenyl-[(1S,3S,4R)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]phosphane?
The canonical SMILES for diphenyl-[(1S,3S,4R)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]phosphane is CC(C)[C@H]1COC([C@@H]2[C@@H]3CC[C@@H](C3)N2P(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of diphenyl-[(1S,3S,4R)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]phosphane?
The InChIKey is XKDPDTYRCCFEFG-VNHKHXMHSA-N. The full InChI is InChI=1S/C24H29N2OP/c1-17(2)22-16-27-24(25-22)23-18-13-14-19(15-18)26(23)28(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,17-19,22-23H,13-16H2,1-2H3/t18-,19+,22-,23+/m1/s1.
What are the key properties of diphenyl-[(1S,3S,4R)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]phosphane?
diphenyl-[(1S,3S,4R)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]phosphane has a molecular weight of 392.48 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(1S,3S,4R)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]phosphane is sourced from PubChem (CID 134992492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).