tert-butyl 4-[2-amino-5-(2-hydroxy-1,3-oxazinan-3-yl)benzimidazol-1-yl]butanoate

C19H28N4O4 — CID 156570655

IUPACtert-butyl 4-[2-amino-5-(2-hydroxy-1,3-oxazinan-3-yl)benzimidazol-1-yl]butanoate
SMILESCC(C)(C)OC(=O)CCCn1c(N)nc2cc(N3CCCOC3O)ccc21
InChIInChI=1S/C19H28N4O4/c1-19(2,3)27-16(24)6-4-9-23-15-8-7-13(12-14(15)21-17(23)20)22-10-5-11-26-18(22)25/h7-8,12,18,25H,4-6,9-11H2,1-3H3,(H2,20,21)
InChIKeyPLXBWKMOGWCRBU-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.24
Rot. Bonds5

About tert-butyl 4-[2-amino-5-(2-hydroxy-1,3-oxazinan-3-yl)benzimidazol-1-yl]butanoate

tert-butyl 4-[2-amino-5-(2-hydroxy-1,3-oxazinan-3-yl)benzimidazol-1-yl]butanoate (PubChem CID 156570655) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is tert-butyl 4-[2-amino-5-(2-hydroxy-1,3-oxazinan-3-yl)benzimidazol-1-yl]butanoate.

Molecular Properties

Compound Nametert-butyl 4-[2-amino-5-(2-hydroxy-1,3-oxazinan-3-yl)benzimidazol-1-yl]butanoate
PubChem CID156570655
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Nametert-butyl 4-[2-amino-5-(2-hydroxy-1,3-oxazinan-3-yl)benzimidazol-1-yl]butanoate
SMILESCC(C)(C)OC(=O)CCCn1c(N)nc2cc(N3CCCOC3O)ccc21
InChIInChI=1S/C19H28N4O4/c1-19(2,3)27-16(24)6-4-9-23-15-8-7-13(12-14(15)21-17(23)20)22-10-5-11-26-18(22)25/h7-8,12,18,25H,4-6,9-11H2,1-3H3,(H2,20,21)
InChIKeyPLXBWKMOGWCRBU-UHFFFAOYSA-N
XLogP2.24
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-amino-5-(2-hydroxy-1,3-oxazinan-3-yl)benzimidazol-1-yl]butanoate?
The IUPAC name of tert-butyl 4-[2-amino-5-(2-hydroxy-1,3-oxazinan-3-yl)benzimidazol-1-yl]butanoate (CID 156570655) is tert-butyl 4-[2-amino-5-(2-hydroxy-1,3-oxazinan-3-yl)benzimidazol-1-yl]butanoate.
What is the SMILES notation for tert-butyl 4-[2-amino-5-(2-hydroxy-1,3-oxazinan-3-yl)benzimidazol-1-yl]butanoate?
The canonical SMILES for tert-butyl 4-[2-amino-5-(2-hydroxy-1,3-oxazinan-3-yl)benzimidazol-1-yl]butanoate is CC(C)(C)OC(=O)CCCn1c(N)nc2cc(N3CCCOC3O)ccc21.
What is the InChIKey of tert-butyl 4-[2-amino-5-(2-hydroxy-1,3-oxazinan-3-yl)benzimidazol-1-yl]butanoate?
The InChIKey is PLXBWKMOGWCRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-19(2,3)27-16(24)6-4-9-23-15-8-7-13(12-14(15)21-17(23)20)22-10-5-11-26-18(22)25/h7-8,12,18,25H,4-6,9-11H2,1-3H3,(H2,20,21).
What are the key properties of tert-butyl 4-[2-amino-5-(2-hydroxy-1,3-oxazinan-3-yl)benzimidazol-1-yl]butanoate?
tert-butyl 4-[2-amino-5-(2-hydroxy-1,3-oxazinan-3-yl)benzimidazol-1-yl]butanoate has a molecular weight of 376.46 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-amino-5-(2-hydroxy-1,3-oxazinan-3-yl)benzimidazol-1-yl]butanoate is sourced from PubChem (CID 156570655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).