tert-butyl 4-(3-imidazol-1-yl-3-oxopropyl)-4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate

C15H21N3O5 — CID 20662548

IUPACtert-butyl 4-(3-imidazol-1-yl-3-oxopropyl)-4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1COC(=O)C1(C)CCC(=O)n1ccnc1
InChIInChI=1S/C15H21N3O5/c1-14(2,3)23-13(21)18-10-22-12(20)15(18,4)6-5-11(19)17-8-7-16-9-17/h7-9H,5-6,10H2,1-4H3
InChIKeyLSLLGHSZRQOQDO-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.81
Rot. Bonds3

About tert-butyl 4-(3-imidazol-1-yl-3-oxopropyl)-4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate

tert-butyl 4-(3-imidazol-1-yl-3-oxopropyl)-4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 20662548) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is tert-butyl 4-(3-imidazol-1-yl-3-oxopropyl)-4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-imidazol-1-yl-3-oxopropyl)-4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID20662548
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Nametert-butyl 4-(3-imidazol-1-yl-3-oxopropyl)-4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1COC(=O)C1(C)CCC(=O)n1ccnc1
InChIInChI=1S/C15H21N3O5/c1-14(2,3)23-13(21)18-10-22-12(20)15(18,4)6-5-11(19)17-8-7-16-9-17/h7-9H,5-6,10H2,1-4H3
InChIKeyLSLLGHSZRQOQDO-UHFFFAOYSA-N
XLogP1.81
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-imidazol-1-yl-3-oxopropyl)-4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-(3-imidazol-1-yl-3-oxopropyl)-4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate (CID 20662548) is tert-butyl 4-(3-imidazol-1-yl-3-oxopropyl)-4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-imidazol-1-yl-3-oxopropyl)-4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-(3-imidazol-1-yl-3-oxopropyl)-4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1COC(=O)C1(C)CCC(=O)n1ccnc1.
What is the InChIKey of tert-butyl 4-(3-imidazol-1-yl-3-oxopropyl)-4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is LSLLGHSZRQOQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-14(2,3)23-13(21)18-10-22-12(20)15(18,4)6-5-11(19)17-8-7-16-9-17/h7-9H,5-6,10H2,1-4H3.
What are the key properties of tert-butyl 4-(3-imidazol-1-yl-3-oxopropyl)-4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-(3-imidazol-1-yl-3-oxopropyl)-4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-imidazol-1-yl-3-oxopropyl)-4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 20662548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).