3-(1,3-benzodioxol-5-yl)-6-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C21H22N4O5 — CID 19616140

IUPAC3-(1,3-benzodioxol-5-yl)-6-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCN2CCOCC2)c2c(-c3ccc4c(c3)OCO4)noc2n1
InChIInChI=1S/C21H22N4O5/c1-13-10-15(20(26)22-4-5-25-6-8-27-9-7-25)18-19(24-30-21(18)23-13)14-2-3-16-17(11-14)29-12-28-16/h2-3,10-11H,4-9,12H2,1H3,(H,22,26)
InChIKeyBRTFHSCINNQIQE-UHFFFAOYSA-N
MW410.43 g/mol
LogP1.99
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-6-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-(1,3-benzodioxol-5-yl)-6-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 19616140) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-6-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-6-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID19616140
Molecular FormulaC21H22N4O5
Molecular Weight410.43 g/mol
Exact Mass410.16
IUPAC Name3-(1,3-benzodioxol-5-yl)-6-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCN2CCOCC2)c2c(-c3ccc4c(c3)OCO4)noc2n1
InChIInChI=1S/C21H22N4O5/c1-13-10-15(20(26)22-4-5-25-6-8-27-9-7-25)18-19(24-30-21(18)23-13)14-2-3-16-17(11-14)29-12-28-16/h2-3,10-11H,4-9,12H2,1H3,(H,22,26)
InChIKeyBRTFHSCINNQIQE-UHFFFAOYSA-N
XLogP1.99
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-(2-bromo-4,6-difluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19615967
N-(2-adamantyl)-3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19616252
6-methyl-3-(4-methylphenyl)-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315644
3-(1,3-benzodioxol-5-yl)-N-benzyl-6-methyl-N-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19616092
1,3,7-trimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53007746
1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 6217319
6-(1,3-benzodioxol-5-ylamino)-2-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109366542
5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 53013333
6-N-(1,3-benzodioxol-5-yl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096496
2-(1,3-benzodioxole-5-carbonylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 46113996
1-(2-chlorophenyl)-3,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863946
2-(1,3-benzodioxol-5-ylamino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109168006

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-6-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-6-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 19616140) is 3-(1,3-benzodioxol-5-yl)-6-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-6-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-6-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCCN2CCOCC2)c2c(-c3ccc4c(c3)OCO4)noc2n1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-6-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BRTFHSCINNQIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5/c1-13-10-15(20(26)22-4-5-25-6-8-27-9-7-25)18-19(24-30-21(18)23-13)14-2-3-16-17(11-14)29-12-28-16/h2-3,10-11H,4-9,12H2,1H3,(H,22,26).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-6-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-(1,3-benzodioxol-5-yl)-6-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-6-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 19616140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).