tert-butyl (4R,5R)-4-(morpholin-4-ylmethyl)-2-oxo-5-[(E)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate

C16H26N2O5 — CID 46838861

IUPACtert-butyl (4R,5R)-4-(morpholin-4-ylmethyl)-2-oxo-5-[(E)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate
SMILESC/C=C/[C@H]1OC(=O)N(C(=O)OC(C)(C)C)[C@@H]1CN1CCOCC1
InChIInChI=1S/C16H26N2O5/c1-5-6-13-12(11-17-7-9-21-10-8-17)18(14(19)22-13)15(20)23-16(2,3)4/h5-6,12-13H,7-11H2,1-4H3/b6-5+/t12-,13-/m1/s1
InChIKeyCNLVYQKCWOFRKM-FBVTZJDUSA-N
MW326.39 g/mol
LogP2.02
Rot. Bonds3

About tert-butyl (4R,5R)-4-(morpholin-4-ylmethyl)-2-oxo-5-[(E)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate

tert-butyl (4R,5R)-4-(morpholin-4-ylmethyl)-2-oxo-5-[(E)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 46838861) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is tert-butyl (4R,5R)-4-(morpholin-4-ylmethyl)-2-oxo-5-[(E)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R,5R)-4-(morpholin-4-ylmethyl)-2-oxo-5-[(E)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate
PubChem CID46838861
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Nametert-butyl (4R,5R)-4-(morpholin-4-ylmethyl)-2-oxo-5-[(E)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate
SMILESC/C=C/[C@H]1OC(=O)N(C(=O)OC(C)(C)C)[C@@H]1CN1CCOCC1
InChIInChI=1S/C16H26N2O5/c1-5-6-13-12(11-17-7-9-21-10-8-17)18(14(19)22-13)15(20)23-16(2,3)4/h5-6,12-13H,7-11H2,1-4H3/b6-5+/t12-,13-/m1/s1
InChIKeyCNLVYQKCWOFRKM-FBVTZJDUSA-N
XLogP2.02
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (4R,5R)-4-(morpholin-4-ylmethyl)-2-oxo-5-[(E)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R,5R)-4-(morpholin-4-ylmethyl)-2-oxo-5-[(E)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate (CID 46838861) is tert-butyl (4R,5R)-4-(morpholin-4-ylmethyl)-2-oxo-5-[(E)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R,5R)-4-(morpholin-4-ylmethyl)-2-oxo-5-[(E)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R,5R)-4-(morpholin-4-ylmethyl)-2-oxo-5-[(E)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate is C/C=C/[C@H]1OC(=O)N(C(=O)OC(C)(C)C)[C@@H]1CN1CCOCC1.
What is the InChIKey of tert-butyl (4R,5R)-4-(morpholin-4-ylmethyl)-2-oxo-5-[(E)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is CNLVYQKCWOFRKM-FBVTZJDUSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-5-6-13-12(11-17-7-9-21-10-8-17)18(14(19)22-13)15(20)23-16(2,3)4/h5-6,12-13H,7-11H2,1-4H3/b6-5+/t12-,13-/m1/s1.
What are the key properties of tert-butyl (4R,5R)-4-(morpholin-4-ylmethyl)-2-oxo-5-[(E)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R,5R)-4-(morpholin-4-ylmethyl)-2-oxo-5-[(E)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 326.39 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R,5R)-4-(morpholin-4-ylmethyl)-2-oxo-5-[(E)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 46838861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).