N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C24H24N4O4 — CID 47060180

IUPACN-[2-(dimethylamino)-2-oxo-1-phenylethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NC(C(=O)N(C)C)c3ccccc3)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C24H24N4O4/c1-13-11-17(15(3)31-13)19-12-18(20-14(2)27-32-23(20)25-19)22(29)26-21(24(30)28(4)5)16-9-7-6-8-10-16/h6-12,21H,1-5H3,(H,26,29)
InChIKeyGHTASVCKMARHGV-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.97
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 47060180) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxo-1-phenylethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID47060180
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-[2-(dimethylamino)-2-oxo-1-phenylethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NC(C(=O)N(C)C)c3ccccc3)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C24H24N4O4/c1-13-11-17(15(3)31-13)19-12-18(20-14(2)27-32-23(20)25-19)22(29)26-21(24(30)28(4)5)16-9-7-6-8-10-16/h6-12,21H,1-5H3,(H,26,29)
InChIKeyGHTASVCKMARHGV-UHFFFAOYSA-N
XLogP3.97
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

2-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
CID 119349124
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(1-thiophen-2-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18145099
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(2-phenoxyethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 32934602
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24588160
N-[2-(benzylamino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46437325
6-(2,5-dimethylfuran-3-yl)-N-methoxy-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 33103458
3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
CID 119351483
N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119383829
N-(1-aminohexan-2-yl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119666847
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[2-(propylcarbamoyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24617816
6-(2,5-dimethylfuran-3-yl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55869238
[2-(benzylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485511

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 47060180) is N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)NC(C(=O)N(C)C)c3ccccc3)c3c(C)noc3n2)c(C)o1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is GHTASVCKMARHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-13-11-17(15(3)31-13)19-12-18(20-14(2)27-32-23(20)25-19)22(29)26-21(24(30)28(4)5)16-9-7-6-8-10-16/h6-12,21H,1-5H3,(H,26,29).
What are the key properties of N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 47060180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).