2-benzyl-3-tert-butyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide

C25H28NO2P — CID 134976792

IUPAC2-benzyl-3-tert-butyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide
SMILESCC(C)(C)N1C(c2ccccc2)C(c2ccccc2)OP1(=O)Cc1ccccc1
InChIInChI=1S/C25H28NO2P/c1-25(2,3)26-23(21-15-9-5-10-16-21)24(22-17-11-6-12-18-22)28-29(26,27)19-20-13-7-4-8-14-20/h4-18,23-24H,19H2,1-3H3
InChIKeySKXASMVAPXSBAT-UHFFFAOYSA-N
MW405.48 g/mol
LogP6.99
Rot. Bonds4

About 2-benzyl-3-tert-butyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide

2-benzyl-3-tert-butyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide (PubChem CID 134976792) has the molecular formula C25H28NO2P and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-benzyl-3-tert-butyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide.

Molecular Properties

Compound Name2-benzyl-3-tert-butyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide
PubChem CID134976792
Molecular FormulaC25H28NO2P
Molecular Weight405.48 g/mol
Exact Mass405.19
IUPAC Name2-benzyl-3-tert-butyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide
SMILESCC(C)(C)N1C(c2ccccc2)C(c2ccccc2)OP1(=O)Cc1ccccc1
InChIInChI=1S/C25H28NO2P/c1-25(2,3)26-23(21-15-9-5-10-16-21)24(22-17-11-6-12-18-22)28-29(26,27)19-20-13-7-4-8-14-20/h4-18,23-24H,19H2,1-3H3
InChIKeySKXASMVAPXSBAT-UHFFFAOYSA-N
XLogP6.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.48
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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(naphthalen-2-yl)methyl]-3,4-dimethyl-5-phenyl-1,3,2lambda5-oxazaphospholidine 2-oxide
CID 10547054
(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(naphthalen-2-yl)methyl]-3,4-dimethyl-5-phenyl-1,3,2lambda5-oxazaphospholidine 2-oxide
CID 10642823
(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
(2S,4S,5R)-3,4-dimethyl-2-(naphthalen-2-ylmethyl)-5-phenyl-1,3,2lambda5-oxazaphospholidine 2-oxide
CID 10784111

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-tert-butyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
The IUPAC name of 2-benzyl-3-tert-butyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide (CID 134976792) is 2-benzyl-3-tert-butyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide.
What is the SMILES notation for 2-benzyl-3-tert-butyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
The canonical SMILES for 2-benzyl-3-tert-butyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide is CC(C)(C)N1C(c2ccccc2)C(c2ccccc2)OP1(=O)Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-tert-butyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
The InChIKey is SKXASMVAPXSBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28NO2P/c1-25(2,3)26-23(21-15-9-5-10-16-21)24(22-17-11-6-12-18-22)28-29(26,27)19-20-13-7-4-8-14-20/h4-18,23-24H,19H2,1-3H3.
What are the key properties of 2-benzyl-3-tert-butyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
2-benzyl-3-tert-butyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide has a molecular weight of 405.48 g/mol, XLogP of 6.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-tert-butyl-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide is sourced from PubChem (CID 134976792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).