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

C28H21N3O4 — CID 19616092

IUPAC3-(1,3-benzodioxol-5-yl)-N-benzyl-6-methyl-N-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccccc2)c2ccccc2)c2c(-c3ccc4c(c3)OCO4)noc2n1
InChIInChI=1S/C28H21N3O4/c1-18-14-22(28(32)31(21-10-6-3-7-11-21)16-19-8-4-2-5-9-19)25-26(30-35-27(25)29-18)20-12-13-23-24(15-20)34-17-33-23/h2-15H,16-17H2,1H3
InChIKeyZAAUDRHGXAUIJW-UHFFFAOYSA-N
MW463.49 g/mol
LogP5.77
Rot. Bonds5

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

3-(1,3-benzodioxol-5-yl)-N-benzyl-6-methyl-N-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 19616092) has the molecular formula C28H21N3O4 and a molecular weight of 463.49 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-benzyl-6-methyl-N-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-benzyl-6-methyl-N-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID19616092
Molecular FormulaC28H21N3O4
Molecular Weight463.49 g/mol
Exact Mass463.15
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-benzyl-6-methyl-N-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccccc2)c2ccccc2)c2c(-c3ccc4c(c3)OCO4)noc2n1
InChIInChI=1S/C28H21N3O4/c1-18-14-22(28(32)31(21-10-6-3-7-11-21)16-19-8-4-2-5-9-19)25-26(30-35-27(25)29-18)20-12-13-23-24(15-20)34-17-33-23/h2-15H,16-17H2,1H3
InChIKeyZAAUDRHGXAUIJW-UHFFFAOYSA-N
XLogP5.77
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.49
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(1,3-benzodioxol-5-yl)-N-benzyl-6-methyl-N-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

[4-[3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 19616073
3-(1,3-benzodioxol-5-yl)-6-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19616140
N-(2-adamantyl)-3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19616252
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-benzyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylbenzamide
CID 55531278
N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110360634
N-benzyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-phenylacetamide
CID 110425470
N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 2813483
2-(1,3-benzodioxol-5-yloxy)-N-benzyl-N-phenylacetamide
CID 112978300
N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-phenyloxamide
CID 108528257
N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 41106869
N-(1,3-benzothiazol-2-yl)-N-benzyl-1,3-benzodioxole-5-carboxamide
CID 41106848

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-benzyl-6-methyl-N-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-benzyl-6-methyl-N-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 19616092) is 3-(1,3-benzodioxol-5-yl)-N-benzyl-6-methyl-N-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-benzyl-6-methyl-N-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-benzyl-6-methyl-N-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N(Cc2ccccc2)c2ccccc2)c2c(-c3ccc4c(c3)OCO4)noc2n1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-benzyl-6-methyl-N-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZAAUDRHGXAUIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O4/c1-18-14-22(28(32)31(21-10-6-3-7-11-21)16-19-8-4-2-5-9-19)25-26(30-35-27(25)29-18)20-12-13-23-24(15-20)34-17-33-23/h2-15H,16-17H2,1H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-benzyl-6-methyl-N-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-(1,3-benzodioxol-5-yl)-N-benzyl-6-methyl-N-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 463.49 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-benzyl-6-methyl-N-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 19616092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).