N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C20H24N4O3S — CID 47045278

IUPACN-[1-(diethylamino)-1-oxopropan-2-yl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(CC)C(=O)C(C)NC(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c12
InChIInChI=1S/C20H24N4O3S/c1-6-24(7-2)20(26)13(5)21-18(25)14-10-15(16-9-8-11(3)28-16)22-19-17(14)12(4)23-27-19/h8-10,13H,6-7H2,1-5H3,(H,21,25)
InChIKeyRKMNOLUZOLWCNW-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.55
Rot. Bonds6

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

N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 47045278) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(diethylamino)-1-oxopropan-2-yl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID47045278
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-[1-(diethylamino)-1-oxopropan-2-yl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(CC)C(=O)C(C)NC(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c12
InChIInChI=1S/C20H24N4O3S/c1-6-24(7-2)20(26)13(5)21-18(25)14-10-15(16-9-8-11(3)28-16)22-19-17(14)12(4)23-27-19/h8-10,13H,6-7H2,1-5H3,(H,21,25)
InChIKeyRKMNOLUZOLWCNW-UHFFFAOYSA-N
XLogP3.55
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24605416
3-methyl-6-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46687764
methyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate
CID 52576468
methyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]pentanoate
CID 55597491
N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 95584725
3-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 94175732
3-methyl-6-(5-methylthiophen-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24612729
N-(2-acetylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24603333
N'-(furan-2-carbonyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 26048596
N-(2,5-difluorophenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24603273
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30134614
3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47064573

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 47045278) is N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCN(CC)C(=O)C(C)NC(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c12.
What is the InChIKey of N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RKMNOLUZOLWCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-6-24(7-2)20(26)13(5)21-18(25)14-10-15(16-9-8-11(3)28-16)22-19-17(14)12(4)23-27-19/h8-10,13H,6-7H2,1-5H3,(H,21,25).
What are the key properties of N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 47045278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).