2-[(3S,5R)-2-benzyl-5-methyl-5-[(E)-(methylhydrazinylidene)methyl]-3-(2-methylpropyl)-1,2-oxazolidin-3-yl]ethanol

C19H31N3O2 — CID 58871541

IUPAC2-[(3S,5R)-2-benzyl-5-methyl-5-[(E)-(methylhydrazinylidene)methyl]-3-(2-methylpropyl)-1,2-oxazolidin-3-yl]ethanol
SMILESCN/N=C/[C@@]1(C)C[C@@](CCO)(CC(C)C)N(Cc2ccccc2)O1
InChIInChI=1S/C19H31N3O2/c1-16(2)12-19(10-11-23)14-18(3,15-21-20-4)24-22(19)13-17-8-6-5-7-9-17/h5-9,15-16,20,23H,10-14H2,1-4H3/b21-15+/t18-,19-/m1/s1
InChIKeySARIFCXVAHYQAD-RLPGOOFBSA-N
MW333.48 g/mol
LogP2.96
Rot. Bonds8

About 2-[(3S,5R)-2-benzyl-5-methyl-5-[(E)-(methylhydrazinylidene)methyl]-3-(2-methylpropyl)-1,2-oxazolidin-3-yl]ethanol

2-[(3S,5R)-2-benzyl-5-methyl-5-[(E)-(methylhydrazinylidene)methyl]-3-(2-methylpropyl)-1,2-oxazolidin-3-yl]ethanol (PubChem CID 58871541) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[(3S,5R)-2-benzyl-5-methyl-5-[(E)-(methylhydrazinylidene)methyl]-3-(2-methylpropyl)-1,2-oxazolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3S,5R)-2-benzyl-5-methyl-5-[(E)-(methylhydrazinylidene)methyl]-3-(2-methylpropyl)-1,2-oxazolidin-3-yl]ethanol
PubChem CID58871541
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-[(3S,5R)-2-benzyl-5-methyl-5-[(E)-(methylhydrazinylidene)methyl]-3-(2-methylpropyl)-1,2-oxazolidin-3-yl]ethanol
SMILESCN/N=C/[C@@]1(C)C[C@@](CCO)(CC(C)C)N(Cc2ccccc2)O1
InChIInChI=1S/C19H31N3O2/c1-16(2)12-19(10-11-23)14-18(3,15-21-20-4)24-22(19)13-17-8-6-5-7-9-17/h5-9,15-16,20,23H,10-14H2,1-4H3/b21-15+/t18-,19-/m1/s1
InChIKeySARIFCXVAHYQAD-RLPGOOFBSA-N
XLogP2.96
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5R)-2-benzyl-5-methyl-5-[(E)-(methylhydrazinylidene)methyl]-3-(2-methylpropyl)-1,2-oxazolidin-3-yl]ethanol?
The IUPAC name of 2-[(3S,5R)-2-benzyl-5-methyl-5-[(E)-(methylhydrazinylidene)methyl]-3-(2-methylpropyl)-1,2-oxazolidin-3-yl]ethanol (CID 58871541) is 2-[(3S,5R)-2-benzyl-5-methyl-5-[(E)-(methylhydrazinylidene)methyl]-3-(2-methylpropyl)-1,2-oxazolidin-3-yl]ethanol.
What is the SMILES notation for 2-[(3S,5R)-2-benzyl-5-methyl-5-[(E)-(methylhydrazinylidene)methyl]-3-(2-methylpropyl)-1,2-oxazolidin-3-yl]ethanol?
The canonical SMILES for 2-[(3S,5R)-2-benzyl-5-methyl-5-[(E)-(methylhydrazinylidene)methyl]-3-(2-methylpropyl)-1,2-oxazolidin-3-yl]ethanol is CN/N=C/[C@@]1(C)C[C@@](CCO)(CC(C)C)N(Cc2ccccc2)O1.
What is the InChIKey of 2-[(3S,5R)-2-benzyl-5-methyl-5-[(E)-(methylhydrazinylidene)methyl]-3-(2-methylpropyl)-1,2-oxazolidin-3-yl]ethanol?
The InChIKey is SARIFCXVAHYQAD-RLPGOOFBSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-16(2)12-19(10-11-23)14-18(3,15-21-20-4)24-22(19)13-17-8-6-5-7-9-17/h5-9,15-16,20,23H,10-14H2,1-4H3/b21-15+/t18-,19-/m1/s1.
What are the key properties of 2-[(3S,5R)-2-benzyl-5-methyl-5-[(E)-(methylhydrazinylidene)methyl]-3-(2-methylpropyl)-1,2-oxazolidin-3-yl]ethanol?
2-[(3S,5R)-2-benzyl-5-methyl-5-[(E)-(methylhydrazinylidene)methyl]-3-(2-methylpropyl)-1,2-oxazolidin-3-yl]ethanol has a molecular weight of 333.48 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5R)-2-benzyl-5-methyl-5-[(E)-(methylhydrazinylidene)methyl]-3-(2-methylpropyl)-1,2-oxazolidin-3-yl]ethanol is sourced from PubChem (CID 58871541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).