N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-4-piperidin-3-yloxybenzamide

C24H22N4O3 — CID 139362921

IUPACN-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-4-piperidin-3-yloxybenzamide
SMILESO=C(Nc1cc2cc(-c3cnco3)ccc2cn1)c1ccc(OC2CCCNC2)cc1
InChIInChI=1S/C24H22N4O3/c29-24(16-5-7-20(8-6-16)31-21-2-1-9-25-13-21)28-23-11-19-10-17(22-14-26-15-30-22)3-4-18(19)12-27-23/h3-8,10-12,14-15,21,25H,1-2,9,13H2,(H,27,28,29)
InChIKeyRZFDIMQHDYYUCJ-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.27
Rot. Bonds5

About N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-4-piperidin-3-yloxybenzamide

N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-4-piperidin-3-yloxybenzamide (PubChem CID 139362921) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-4-piperidin-3-yloxybenzamide.

Molecular Properties

Compound NameN-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-4-piperidin-3-yloxybenzamide
PubChem CID139362921
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-4-piperidin-3-yloxybenzamide
SMILESO=C(Nc1cc2cc(-c3cnco3)ccc2cn1)c1ccc(OC2CCCNC2)cc1
InChIInChI=1S/C24H22N4O3/c29-24(16-5-7-20(8-6-16)31-21-2-1-9-25-13-21)28-23-11-19-10-17(22-14-26-15-30-22)3-4-18(19)12-27-23/h3-8,10-12,14-15,21,25H,1-2,9,13H2,(H,27,28,29)
InChIKeyRZFDIMQHDYYUCJ-UHFFFAOYSA-N
XLogP4.27
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-4-piperidin-3-yloxybenzamide?
The IUPAC name of N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-4-piperidin-3-yloxybenzamide (CID 139362921) is N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-4-piperidin-3-yloxybenzamide.
What is the SMILES notation for N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-4-piperidin-3-yloxybenzamide?
The canonical SMILES for N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-4-piperidin-3-yloxybenzamide is O=C(Nc1cc2cc(-c3cnco3)ccc2cn1)c1ccc(OC2CCCNC2)cc1.
What is the InChIKey of N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-4-piperidin-3-yloxybenzamide?
The InChIKey is RZFDIMQHDYYUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c29-24(16-5-7-20(8-6-16)31-21-2-1-9-25-13-21)28-23-11-19-10-17(22-14-26-15-30-22)3-4-18(19)12-27-23/h3-8,10-12,14-15,21,25H,1-2,9,13H2,(H,27,28,29).
What are the key properties of N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-4-piperidin-3-yloxybenzamide?
N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-4-piperidin-3-yloxybenzamide has a molecular weight of 414.47 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-4-piperidin-3-yloxybenzamide is sourced from PubChem (CID 139362921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).