tert-butyl N-[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamate

C15H26N2O4 — CID 59396014

IUPACtert-butyl N-[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamate
SMILESC=CC[C@H]1COC(C)(C)N1C(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O4/c1-7-8-11-10-20-15(5,6)17(11)12(18)9-16-13(19)21-14(2,3)4/h7,11H,1,8-10H2,2-6H3,(H,16,19)/t11-/m0/s1
InChIKeyOFXOXGYVZIPXDB-NSHDSACASA-N
MW298.38 g/mol
LogP2.05
Rot. Bonds4

About tert-butyl N-[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamate

tert-butyl N-[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamate (PubChem CID 59396014) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is tert-butyl N-[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamate
PubChem CID59396014
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nametert-butyl N-[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamate
SMILESC=CC[C@H]1COC(C)(C)N1C(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O4/c1-7-8-11-10-20-15(5,6)17(11)12(18)9-16-13(19)21-14(2,3)4/h7,11H,1,8-10H2,2-6H3,(H,16,19)/t11-/m0/s1
InChIKeyOFXOXGYVZIPXDB-NSHDSACASA-N
XLogP2.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamate (CID 59396014) is tert-butyl N-[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamate is C=CC[C@H]1COC(C)(C)N1C(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamate?
The InChIKey is OFXOXGYVZIPXDB-NSHDSACASA-N. The full InChI is InChI=1S/C15H26N2O4/c1-7-8-11-10-20-15(5,6)17(11)12(18)9-16-13(19)21-14(2,3)4/h7,11H,1,8-10H2,2-6H3,(H,16,19)/t11-/m0/s1.
What are the key properties of tert-butyl N-[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamate?
tert-butyl N-[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamate has a molecular weight of 298.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 59396014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).