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

C25H25N3O4 — CID 19616252

IUPACN-(2-adamantyl)-3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c2c(-c3ccc4c(c3)OCO4)noc2n1
InChIInChI=1S/C25H25N3O4/c1-12-4-18(24(29)27-22-16-6-13-5-14(8-16)9-17(22)7-13)21-23(28-32-25(21)26-12)15-2-3-19-20(10-15)31-11-30-19/h2-4,10,13-14,16-17,22H,5-9,11H2,1H3,(H,27,29)
InChIKeyJBRYCHYLPKTJPB-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.48
Rot. Bonds3

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

N-(2-adamantyl)-3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 19616252) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-(2-adamantyl)-3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID19616252
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-(2-adamantyl)-3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c2c(-c3ccc4c(c3)OCO4)noc2n1
InChIInChI=1S/C25H25N3O4/c1-12-4-18(24(29)27-22-16-6-13-5-14(8-16)9-17(22)7-13)21-23(28-32-25(21)26-12)15-2-3-19-20(10-15)31-11-30-19/h2-4,10,13-14,16-17,22H,5-9,11H2,1H3,(H,27,29)
InChIKeyJBRYCHYLPKTJPB-UHFFFAOYSA-N
XLogP4.48
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
3-(1,3-benzodioxol-5-yl)-6-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19616140
3-(1,3-benzodioxol-5-yl)-N-benzyl-6-methyl-N-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19616092
[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
6-methyl-3-(4-methylphenyl)-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315644
N-(3,4-dihydro-2H-chromen-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18142811
1-[(3R,5S)-5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]-3-(4-methylphenyl)urea
CID 162836939
[6-methyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 171315436
N-(2-adamantyl)-3,5-dimethylbenzamide
CID 923702
N-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821674
N-(6-amino-1,3-benzodioxol-5-yl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119618472
N-(1,3-benzodioxol-5-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42475011

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-adamantyl)-3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 19616252) is N-(2-adamantyl)-3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-adamantyl)-3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c2c(-c3ccc4c(c3)OCO4)noc2n1.
What is the InChIKey of N-(2-adamantyl)-3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is JBRYCHYLPKTJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-12-4-18(24(29)27-22-16-6-13-5-14(8-16)9-17(22)7-13)21-23(28-32-25(21)26-12)15-2-3-19-20(10-15)31-11-30-19/h2-4,10,13-14,16-17,22H,5-9,11H2,1H3,(H,27,29).
What are the key properties of N-(2-adamantyl)-3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(2-adamantyl)-3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 19616252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).