tert-butyl 4-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxylate

C15H19FN4O3 — CID 167106911

IUPACtert-butyl 4-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2nc3cc(F)cnc3o2)CC1
InChIInChI=1S/C15H19FN4O3/c1-15(2,3)23-14(21)20-6-4-19(5-7-20)13-18-11-8-10(16)9-17-12(11)22-13/h8-9H,4-7H2,1-3H3
InChIKeyYVDBGRIAWRLRHP-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.42
Rot. Bonds1

About tert-butyl 4-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxylate

tert-butyl 4-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxylate (PubChem CID 167106911) has the molecular formula C15H19FN4O3 and a molecular weight of 322.34 g/mol. Its IUPAC name is tert-butyl 4-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxylate
PubChem CID167106911
Molecular FormulaC15H19FN4O3
Molecular Weight322.34 g/mol
Exact Mass322.14
IUPAC Nametert-butyl 4-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2nc3cc(F)cnc3o2)CC1
InChIInChI=1S/C15H19FN4O3/c1-15(2,3)23-14(21)20-6-4-19(5-7-20)13-18-11-8-10(16)9-17-12(11)22-13/h8-9H,4-7H2,1-3H3
InChIKeyYVDBGRIAWRLRHP-UHFFFAOYSA-N
XLogP2.42
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxylate (CID 167106911) is tert-butyl 4-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2nc3cc(F)cnc3o2)CC1.
What is the InChIKey of tert-butyl 4-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxylate?
The InChIKey is YVDBGRIAWRLRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O3/c1-15(2,3)23-14(21)20-6-4-19(5-7-20)13-18-11-8-10(16)9-17-12(11)22-13/h8-9H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxylate?
tert-butyl 4-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxylate has a molecular weight of 322.34 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 167106911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).