tert-butyl 4-(2-hydroxyethyl)-2-methyl-5-phenyl-1,3-oxazolidine-3-carboxylate

C17H25NO4 — CID 123711115

IUPACtert-butyl 4-(2-hydroxyethyl)-2-methyl-5-phenyl-1,3-oxazolidine-3-carboxylate
SMILESCC1OC(c2ccccc2)C(CCO)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO4/c1-12-18(16(20)22-17(2,3)4)14(10-11-19)15(21-12)13-8-6-5-7-9-13/h5-9,12,14-15,19H,10-11H2,1-4H3
InChIKeyLNRIFXRRQRKBCD-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.09
Rot. Bonds3

About tert-butyl 4-(2-hydroxyethyl)-2-methyl-5-phenyl-1,3-oxazolidine-3-carboxylate

tert-butyl 4-(2-hydroxyethyl)-2-methyl-5-phenyl-1,3-oxazolidine-3-carboxylate (PubChem CID 123711115) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl 4-(2-hydroxyethyl)-2-methyl-5-phenyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-hydroxyethyl)-2-methyl-5-phenyl-1,3-oxazolidine-3-carboxylate
PubChem CID123711115
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Nametert-butyl 4-(2-hydroxyethyl)-2-methyl-5-phenyl-1,3-oxazolidine-3-carboxylate
SMILESCC1OC(c2ccccc2)C(CCO)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO4/c1-12-18(16(20)22-17(2,3)4)14(10-11-19)15(21-12)13-8-6-5-7-9-13/h5-9,12,14-15,19H,10-11H2,1-4H3
InChIKeyLNRIFXRRQRKBCD-UHFFFAOYSA-N
XLogP3.09
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 101106252
tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
CID 76781392
(2R,4S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid
CID 57172528
tert-butyl (3S,5S,6R)-3-but-3-enyl-2-oxo-5,6-diphenylmorpholine-4-carboxylate
CID 10454077
(2R,4S,5R)-2-tert-butyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic acid
CID 67541584
2-tert-butyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic acid
CID 77310176
tert-butyl (2S,3S)-2-[hydroxy(diphenyl)methyl]-3-methylaziridine-1-carboxylate
CID 11515617
tert-butyl 2-methyl-7-phenyl-2,3,6,7-tetrahydroazepine-1-carboxylate
CID 101399997
tert-butyl (2S,3R)-3-phenyloxirane-2-carboxylate
CID 12750086
tert-butyl (1R,2R,4S,5S)-3-oxo-2,4-diphenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 10785704
1-O-tert-butyl 2-O-methyl (2S,5R)-5-phenyl-2,5-dihydropyrrole-1,2-dicarboxylate
CID 11197438
tert-butyl (3R,5R,6S)-3-[(1-methylcyclopropyl)methyl]-2-oxo-5,6-diphenylmorpholine-4-carboxylate
CID 90891236

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-hydroxyethyl)-2-methyl-5-phenyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-(2-hydroxyethyl)-2-methyl-5-phenyl-1,3-oxazolidine-3-carboxylate (CID 123711115) is tert-butyl 4-(2-hydroxyethyl)-2-methyl-5-phenyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-hydroxyethyl)-2-methyl-5-phenyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-(2-hydroxyethyl)-2-methyl-5-phenyl-1,3-oxazolidine-3-carboxylate is CC1OC(c2ccccc2)C(CCO)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(2-hydroxyethyl)-2-methyl-5-phenyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is LNRIFXRRQRKBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-12-18(16(20)22-17(2,3)4)14(10-11-19)15(21-12)13-8-6-5-7-9-13/h5-9,12,14-15,19H,10-11H2,1-4H3.
What are the key properties of tert-butyl 4-(2-hydroxyethyl)-2-methyl-5-phenyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-(2-hydroxyethyl)-2-methyl-5-phenyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-hydroxyethyl)-2-methyl-5-phenyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 123711115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).