(4S,5R)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine

C17H20NO2P — CID 177467359

IUPAC(4S,5R)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine
SMILESCOc1ccc(P2O[C@H](c3ccccc3)[C@H](C)N2C)cc1
InChIInChI=1S/C17H20NO2P/c1-13-17(14-7-5-4-6-8-14)20-21(18(13)2)16-11-9-15(19-3)10-12-16/h4-13,17H,1-3H3/t13-,17-,21?/m0/s1
InChIKeySAYWIASZRAIQMT-PMJXDKCKSA-N
MW301.33 g/mol
LogP3.72
Rot. Bonds3

About (4S,5R)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine

(4S,5R)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine (PubChem CID 177467359) has the molecular formula C17H20NO2P and a molecular weight of 301.33 g/mol. Its IUPAC name is (4S,5R)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine.

Molecular Properties

Compound Name(4S,5R)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine
PubChem CID177467359
Molecular FormulaC17H20NO2P
Molecular Weight301.33 g/mol
Exact Mass301.12
IUPAC Name(4S,5R)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine
SMILESCOc1ccc(P2O[C@H](c3ccccc3)[C@H](C)N2C)cc1
InChIInChI=1S/C17H20NO2P/c1-13-17(14-7-5-4-6-8-14)20-21(18(13)2)16-11-9-15(19-3)10-12-16/h4-13,17H,1-3H3/t13-,17-,21?/m0/s1
InChIKeySAYWIASZRAIQMT-PMJXDKCKSA-N
XLogP3.72
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.72
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

(4S,5S)-2-[2,6-di(propan-2-yl)phenoxy]-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine
CID 177461503
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene
CID 134955785
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256
(2S,3R)-6-[(4-methoxyphenyl)methylidene]-3,4-dimethyl-2-phenyl-1,4-oxazepane-5,7-dione
CID 57318968
2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane
CID 14681590
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
(4-methoxyphenyl)-(3-methyl-2-phenylmorpholin-4-yl)methanone
CID 110728442
(4R,5S)-3-(4-methoxyphenyl)-5-methyl-4-phenyl-4,5-dihydro-1,2-oxazole
CID 71398426
(2R,3R)-2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)-3-phenylazetidine
CID 10495239
(2R,4R,5S,6R)-4-(4-methoxyphenyl)-2,5,6-trimethyl-1,3-dioxane
CID 13085354
(2S,3S)-2-(3,5-dimethoxyphenyl)-3-phenyloxirane
CID 131844967

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine?
The IUPAC name of (4S,5R)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine (CID 177467359) is (4S,5R)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine.
What is the SMILES notation for (4S,5R)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine?
The canonical SMILES for (4S,5R)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine is COc1ccc(P2O[C@H](c3ccccc3)[C@H](C)N2C)cc1.
What is the InChIKey of (4S,5R)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine?
The InChIKey is SAYWIASZRAIQMT-PMJXDKCKSA-N. The full InChI is InChI=1S/C17H20NO2P/c1-13-17(14-7-5-4-6-8-14)20-21(18(13)2)16-11-9-15(19-3)10-12-16/h4-13,17H,1-3H3/t13-,17-,21?/m0/s1.
What are the key properties of (4S,5R)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine?
(4S,5R)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine has a molecular weight of 301.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine is sourced from PubChem (CID 177467359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).