oxetan-3-yl 4-[6-(4,5-dimethyl-1,3-oxazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate

C21H24N4O4 — CID 160955719

IUPACoxetan-3-yl 4-[6-(4,5-dimethyl-1,3-oxazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
SMILESCc1nc(C2=Cc3c(N4CCN(C(=O)OC5COC5)CC4)ccnc3C2)oc1C
InChIInChI=1S/C21H24N4O4/c1-13-14(2)28-20(23-13)15-9-17-18(10-15)22-4-3-19(17)24-5-7-25(8-6-24)21(26)29-16-11-27-12-16/h3-4,9,16H,5-8,10-12H2,1-2H3
InChIKeySWIYROXXQDKZKT-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.44
Rot. Bonds3

About oxetan-3-yl 4-[6-(4,5-dimethyl-1,3-oxazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate

oxetan-3-yl 4-[6-(4,5-dimethyl-1,3-oxazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate (PubChem CID 160955719) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is oxetan-3-yl 4-[6-(4,5-dimethyl-1,3-oxazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameoxetan-3-yl 4-[6-(4,5-dimethyl-1,3-oxazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
PubChem CID160955719
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Nameoxetan-3-yl 4-[6-(4,5-dimethyl-1,3-oxazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
SMILESCc1nc(C2=Cc3c(N4CCN(C(=O)OC5COC5)CC4)ccnc3C2)oc1C
InChIInChI=1S/C21H24N4O4/c1-13-14(2)28-20(23-13)15-9-17-18(10-15)22-4-3-19(17)24-5-7-25(8-6-24)21(26)29-16-11-27-12-16/h3-4,9,16H,5-8,10-12H2,1-2H3
InChIKeySWIYROXXQDKZKT-UHFFFAOYSA-N
XLogP2.44
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 4-[6-(4,5-dimethyl-1,3-oxazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
The IUPAC name of oxetan-3-yl 4-[6-(4,5-dimethyl-1,3-oxazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate (CID 160955719) is oxetan-3-yl 4-[6-(4,5-dimethyl-1,3-oxazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for oxetan-3-yl 4-[6-(4,5-dimethyl-1,3-oxazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for oxetan-3-yl 4-[6-(4,5-dimethyl-1,3-oxazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate is Cc1nc(C2=Cc3c(N4CCN(C(=O)OC5COC5)CC4)ccnc3C2)oc1C.
What is the InChIKey of oxetan-3-yl 4-[6-(4,5-dimethyl-1,3-oxazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
The InChIKey is SWIYROXXQDKZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-13-14(2)28-20(23-13)15-9-17-18(10-15)22-4-3-19(17)24-5-7-25(8-6-24)21(26)29-16-11-27-12-16/h3-4,9,16H,5-8,10-12H2,1-2H3.
What are the key properties of oxetan-3-yl 4-[6-(4,5-dimethyl-1,3-oxazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
oxetan-3-yl 4-[6-(4,5-dimethyl-1,3-oxazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate has a molecular weight of 396.45 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 4-[6-(4,5-dimethyl-1,3-oxazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 160955719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).