tert-butyl 4-[5-(1,3-oxazol-5-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

C20H23N3O4 — CID 86694577

IUPACtert-butyl 4-[5-(1,3-oxazol-5-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4cnco4)ncc3o2)CC1
InChIInChI=1S/C20H23N3O4/c1-20(2,3)27-19(24)23-6-4-13(5-7-23)16-9-14-8-15(18-10-21-12-25-18)22-11-17(14)26-16/h8-13H,4-7H2,1-3H3
InChIKeyZGVCXCXGAJMRNH-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.60
Rot. Bonds2

About tert-butyl 4-[5-(1,3-oxazol-5-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

tert-butyl 4-[5-(1,3-oxazol-5-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (PubChem CID 86694577) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is tert-butyl 4-[5-(1,3-oxazol-5-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(1,3-oxazol-5-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
PubChem CID86694577
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Nametert-butyl 4-[5-(1,3-oxazol-5-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4cnco4)ncc3o2)CC1
InChIInChI=1S/C20H23N3O4/c1-20(2,3)27-19(24)23-6-4-13(5-7-23)16-9-14-8-15(18-10-21-12-25-18)22-11-17(14)26-16/h8-13H,4-7H2,1-3H3
InChIKeyZGVCXCXGAJMRNH-UHFFFAOYSA-N
XLogP4.60
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(1,3-oxazol-5-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(1,3-oxazol-5-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (CID 86694577) is tert-butyl 4-[5-(1,3-oxazol-5-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(1,3-oxazol-5-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(1,3-oxazol-5-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4cnco4)ncc3o2)CC1.
What is the InChIKey of tert-butyl 4-[5-(1,3-oxazol-5-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The InChIKey is ZGVCXCXGAJMRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-20(2,3)27-19(24)23-6-4-13(5-7-23)16-9-14-8-15(18-10-21-12-25-18)22-11-17(14)26-16/h8-13H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-[5-(1,3-oxazol-5-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-(1,3-oxazol-5-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate has a molecular weight of 369.42 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(1,3-oxazol-5-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 86694577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).