N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H19BrN4O4 — CID 26024614

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc(-c2ccco2)nc2onc(C)c12
InChIInChI=1S/C22H19BrN4O4/c1-12-9-14(23)6-7-16(12)24-19(28)11-27(3)22(29)15-10-17(18-5-4-8-30-18)25-21-20(15)13(2)26-31-21/h4-10H,11H2,1-3H3,(H,24,28)
InChIKeyOHBLNYVUBQKSNY-UHFFFAOYSA-N
MW483.32 g/mol
LogP4.57
Rot. Bonds5

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 26024614) has the molecular formula C22H19BrN4O4 and a molecular weight of 483.32 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID26024614
Molecular FormulaC22H19BrN4O4
Molecular Weight483.32 g/mol
Exact Mass482.06
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc(-c2ccco2)nc2onc(C)c12
InChIInChI=1S/C22H19BrN4O4/c1-12-9-14(23)6-7-16(12)24-19(28)11-27(3)22(29)15-10-17(18-5-4-8-30-18)25-21-20(15)13(2)26-31-21/h4-10H,11H2,1-3H3,(H,24,28)
InChIKeyOHBLNYVUBQKSNY-UHFFFAOYSA-N
XLogP4.57
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.32
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

6-(furan-2-yl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18150886
N-ethyl-6-(furan-2-yl)-3-methyl-N-[2-(methylamino)-2-oxoethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47029268
6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 31336264
N-(2-anilino-2-oxoethyl)-N,3-dimethyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55638797
N,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134051525
N-[4-(dimethylamino)phenyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17496786
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
CID 26904815
6-(furan-2-yl)-3-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30003571
5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide
CID 26904812
N,3-dimethyl-6-(5-methylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46599183
6-(furan-2-yl)-3-methyl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18133213
N-butyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46605297

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 26024614) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc(-c2ccco2)nc2onc(C)c12.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is OHBLNYVUBQKSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O4/c1-12-9-14(23)6-7-16(12)24-19(28)11-27(3)22(29)15-10-17(18-5-4-8-30-18)25-21-20(15)13(2)26-31-21/h4-10H,11H2,1-3H3,(H,24,28).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 483.32 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 26024614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).