(2S,4S,5R)-3-tert-butyl-2-ethyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide

C20H26NO2P — CID 139063836

IUPAC(2S,4S,5R)-3-tert-butyl-2-ethyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide
SMILESCC[P@]1(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)N1C(C)(C)C
InChIInChI=1S/C20H26NO2P/c1-5-24(22)21(20(2,3)4)18(16-12-8-6-9-13-16)19(23-24)17-14-10-7-11-15-17/h6-15,18-19H,5H2,1-4H3/t18-,19+,24-/m0/s1
InChIKeyTYQRNDWOXXRXAZ-GLDPYIMESA-N
MW343.41 g/mol
LogP5.81
Rot. Bonds3

About (2S,4S,5R)-3-tert-butyl-2-ethyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide

(2S,4S,5R)-3-tert-butyl-2-ethyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide (PubChem CID 139063836) has the molecular formula C20H26NO2P and a molecular weight of 343.41 g/mol. Its IUPAC name is (2S,4S,5R)-3-tert-butyl-2-ethyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide.

Molecular Properties

Compound Name(2S,4S,5R)-3-tert-butyl-2-ethyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide
PubChem CID139063836
Molecular FormulaC20H26NO2P
Molecular Weight343.41 g/mol
Exact Mass343.17
IUPAC Name(2S,4S,5R)-3-tert-butyl-2-ethyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide
SMILESCC[P@]1(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)N1C(C)(C)C
InChIInChI=1S/C20H26NO2P/c1-5-24(22)21(20(2,3)4)18(16-12-8-6-9-13-16)19(23-24)17-14-10-7-11-15-17/h6-15,18-19H,5H2,1-4H3/t18-,19+,24-/m0/s1
InChIKeyTYQRNDWOXXRXAZ-GLDPYIMESA-N
XLogP5.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.41
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,4S,5R)-3-tert-butyl-2-ethyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S,5R)-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2lambda5-oxazaphospholidine 2-oxide
CID 11969812
2-Allyl-3-isopropyl-4-methyl-5-phenyl-1,3,2-oxazaphospholidine 2-oxide
CID 500039
(2R,4S,5R)-2-[(S)-fluoro-(3-phenylphenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2lambda5-oxazaphospholidine 2-oxide
CID 10548714
(2R,4S,5R)-2-[(R)-fluoro(phenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2lambda5-oxazaphospholidine 2-oxide
CID 10639319
(2R,4S,5R)-2-[(R)-fluoro-(3-phenylphenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2lambda5-oxazaphospholidine 2-oxide
CID 10739452
(2R,4S,5R)-2-[(S)-fluoro(phenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2lambda5-oxazaphospholidine 2-oxide
CID 10829422
(2R,4R,5S)-3-tert-butyl-2-[(1S)-1-fluoro-1-methyl-2-oxo-propyl]-4,5-diphenyl-[1,3,2]-oxazaphospholidine2-oxide
CID 139063840
(3S)-3-[(2R,4S,5R)-3-tert-butyl-2-oxo-4,5-diphenyl-1,3,2lambda5-oxazaphospholidin-2-yl]-3-fluorobutan-2-one
CID 168308383
(4R,5S)-2-ethoxy-3,4-dimethyl-5-phenyl-1,3,2$l^{5}-oxazaphospholidine 2-oxide
CID 176468507
3,4-Dimethyl-2-(3-methyl-1-phenylbuta-1,2-dienyl)-5-phenyl-1,3,2lambda5-oxazaphospholane 2-oxide
CID 15031760
(2S,4R,5S)-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine
CID 12966788
(2R,4S,5R)-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine
CID 13309972

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-3-tert-butyl-2-ethyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
The IUPAC name of (2S,4S,5R)-3-tert-butyl-2-ethyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide (CID 139063836) is (2S,4S,5R)-3-tert-butyl-2-ethyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide.
What is the SMILES notation for (2S,4S,5R)-3-tert-butyl-2-ethyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
The canonical SMILES for (2S,4S,5R)-3-tert-butyl-2-ethyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide is CC[P@]1(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)N1C(C)(C)C.
What is the InChIKey of (2S,4S,5R)-3-tert-butyl-2-ethyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
The InChIKey is TYQRNDWOXXRXAZ-GLDPYIMESA-N. The full InChI is InChI=1S/C20H26NO2P/c1-5-24(22)21(20(2,3)4)18(16-12-8-6-9-13-16)19(23-24)17-14-10-7-11-15-17/h6-15,18-19H,5H2,1-4H3/t18-,19+,24-/m0/s1.
What are the key properties of (2S,4S,5R)-3-tert-butyl-2-ethyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
(2S,4S,5R)-3-tert-butyl-2-ethyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide has a molecular weight of 343.41 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-3-tert-butyl-2-ethyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide is sourced from PubChem (CID 139063836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).