(3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine

C22H29NOSe — CID 15758445

IUPAC(3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
SMILESCCCC(CCC)N1OC[C@@H]([Se]c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C22H29NOSe/c1-3-11-19(12-4-2)23-22(18-13-7-5-8-14-18)21(17-24-23)25-20-15-9-6-10-16-20/h5-10,13-16,19,21-22H,3-4,11-12,17H2,1-2H3/t21-,22+/m1/s1
InChIKeyQDGQPBNHDMKWJW-YADHBBJMSA-N
MW402.44 g/mol
LogP4.76
Rot. Bonds8

About (3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine

(3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine (PubChem CID 15758445) has the molecular formula C22H29NOSe and a molecular weight of 402.44 g/mol. Its IUPAC name is (3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
PubChem CID15758445
Molecular FormulaC22H29NOSe
Molecular Weight402.44 g/mol
Exact Mass403.14
IUPAC Name(3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
SMILESCCCC(CCC)N1OC[C@@H]([Se]c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C22H29NOSe/c1-3-11-19(12-4-2)23-22(18-13-7-5-8-14-18)21(17-24-23)25-20-15-9-6-10-16-20/h5-10,13-16,19,21-22H,3-4,11-12,17H2,1-2H3/t21-,22+/m1/s1
InChIKeyQDGQPBNHDMKWJW-YADHBBJMSA-N
XLogP4.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,4R)-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane
CID 704394
2-Methyl-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane
CID 4367643
2,6-Diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane
CID 2729795
(3R,5S)-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine
CID 15151212
4-(Difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine
CID 13582988
(3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine
CID 15151214
(3S,5S)-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine
CID 101639521
5-(Difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine
CID 134922281
(3r,5s)-5-Iodomethyl-2-methyl-3-phenyl-isoxazolidine
CID 11141200
(3R,5S)-2-tert-Butyl-5-iodomethyl-3-phenyl-isoxazolidine
CID 21582106
(3R,5R)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine
CID 5323941
(3R,5R)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
CID 10420426

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine?
The IUPAC name of (3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine (CID 15758445) is (3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine.
What is the SMILES notation for (3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine?
The canonical SMILES for (3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine is CCCC(CCC)N1OC[C@@H]([Se]c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine?
The InChIKey is QDGQPBNHDMKWJW-YADHBBJMSA-N. The full InChI is InChI=1S/C22H29NOSe/c1-3-11-19(12-4-2)23-22(18-13-7-5-8-14-18)21(17-24-23)25-20-15-9-6-10-16-20/h5-10,13-16,19,21-22H,3-4,11-12,17H2,1-2H3/t21-,22+/m1/s1.
What are the key properties of (3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine?
(3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine has a molecular weight of 402.44 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine is sourced from PubChem (CID 15758445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).