tert-butyl (4S)-4-(cyclohexylmethyl)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C19H35NO4 — CID 18634269

IUPACtert-butyl (4S)-4-(cyclohexylmethyl)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](CC2CCCCC2)C(CCO)OC1(C)C
InChIInChI=1S/C19H35NO4/c1-18(2,3)24-17(22)20-15(13-14-9-7-6-8-10-14)16(11-12-21)23-19(20,4)5/h14-16,21H,6-13H2,1-5H3/t15-,16?/m0/s1
InChIKeyACHBIGGUVIQXMW-VYRBHSGPSA-N
MW341.49 g/mol
LogP4.08
Rot. Bonds4

About tert-butyl (4S)-4-(cyclohexylmethyl)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-(cyclohexylmethyl)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 18634269) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is tert-butyl (4S)-4-(cyclohexylmethyl)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-(cyclohexylmethyl)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID18634269
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Nametert-butyl (4S)-4-(cyclohexylmethyl)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](CC2CCCCC2)C(CCO)OC1(C)C
InChIInChI=1S/C19H35NO4/c1-18(2,3)24-17(22)20-15(13-14-9-7-6-8-10-14)16(11-12-21)23-19(20,4)5/h14-16,21H,6-13H2,1-5H3/t15-,16?/m0/s1
InChIKeyACHBIGGUVIQXMW-VYRBHSGPSA-N
XLogP4.08
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-(cyclohexylmethyl)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-(cyclohexylmethyl)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 18634269) is tert-butyl (4S)-4-(cyclohexylmethyl)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-(cyclohexylmethyl)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-(cyclohexylmethyl)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@@H](CC2CCCCC2)C(CCO)OC1(C)C.
What is the InChIKey of tert-butyl (4S)-4-(cyclohexylmethyl)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is ACHBIGGUVIQXMW-VYRBHSGPSA-N. The full InChI is InChI=1S/C19H35NO4/c1-18(2,3)24-17(22)20-15(13-14-9-7-6-8-10-14)16(11-12-21)23-19(20,4)5/h14-16,21H,6-13H2,1-5H3/t15-,16?/m0/s1.
What are the key properties of tert-butyl (4S)-4-(cyclohexylmethyl)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-(cyclohexylmethyl)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 341.49 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-(cyclohexylmethyl)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 18634269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).