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

C19H18N4O3S — CID 86836173

IUPAC6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCc3cnc(C)s3)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C19H18N4O3S/c1-9-5-14(11(3)25-9)16-6-15(17-10(2)23-26-19(17)22-16)18(24)21-8-13-7-20-12(4)27-13/h5-7H,8H2,1-4H3,(H,21,24)
InChIKeyAYPPYRAKRFETJS-UHFFFAOYSA-N
MW382.45 g/mol
LogP4.10
Rot. Bonds4

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

6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 86836173) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID86836173
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCc3cnc(C)s3)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C19H18N4O3S/c1-9-5-14(11(3)25-9)16-6-15(17-10(2)23-26-19(17)22-16)18(24)21-8-13-7-20-12(4)27-13/h5-7H,8H2,1-4H3,(H,21,24)
InChIKeyAYPPYRAKRFETJS-UHFFFAOYSA-N
XLogP4.10
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119383829
3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
CID 119351483
6-(2,5-dimethylfuran-3-yl)-N-methoxy-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 33103458
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)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55869238
N-[2-(benzylamino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46437325
2-[2-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 120526470
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)-N-[(4S)-4-hydroxyhexyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 95784639
methyl 7-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]heptanoate
CID 36624558
N-(3,5-dimethoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42089730
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(2-methylpiperidin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120576654

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 86836173) is 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)NCc3cnc(C)s3)c3c(C)noc3n2)c(C)o1.
What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is AYPPYRAKRFETJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-9-5-14(11(3)25-9)16-6-15(17-10(2)23-26-19(17)22-16)18(24)21-8-13-7-20-12(4)27-13/h5-7H,8H2,1-4H3,(H,21,24).
What are the key properties of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 86836173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).