6-(furan-2-yl)-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C23H20N4O4 — CID 55533054

IUPAC6-(furan-2-yl)-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)c12
InChIInChI=1S/C23H20N4O4/c1-14-20-17(13-18(19-5-4-12-30-19)25-22(20)31-26-14)21(28)24-16-8-6-15(7-9-16)23(29)27-10-2-3-11-27/h4-9,12-13H,2-3,10-11H2,1H3,(H,24,28)
InChIKeyLRARTJCVDGBKEA-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.28
Rot. Bonds4

About 6-(furan-2-yl)-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(furan-2-yl)-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55533054) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55533054
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name6-(furan-2-yl)-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)c12
InChIInChI=1S/C23H20N4O4/c1-14-20-17(13-18(19-5-4-12-30-19)25-22(20)31-26-14)21(28)24-16-8-6-15(7-9-16)23(29)27-10-2-3-11-27/h4-9,12-13H,2-3,10-11H2,1H3,(H,24,28)
InChIKeyLRARTJCVDGBKEA-UHFFFAOYSA-N
XLogP4.28
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylamino)phenyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17496786
N-(3-ethynylphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18147895
N-(2,3-dihydro-1-benzofuran-5-yl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 38588937
N'-(4-chlorobenzoyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 17475946
methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate
CID 51328474
N-(3,4-diethoxyphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17496782
N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 37178037
methyl 2-[[2-[4-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781629
N-ethyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47138995
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46416055
N-(3-fluoro-4-pyrazol-1-ylphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55820141
6-(furan-2-yl)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30187132

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(furan-2-yl)-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 55533054) is 6-(furan-2-yl)-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)c12.
What is the InChIKey of 6-(furan-2-yl)-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LRARTJCVDGBKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-14-20-17(13-18(19-5-4-12-30-19)25-22(20)31-26-14)21(28)24-16-8-6-15(7-9-16)23(29)27-10-2-3-11-27/h4-9,12-13H,2-3,10-11H2,1H3,(H,24,28).
What are the key properties of 6-(furan-2-yl)-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(furan-2-yl)-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55533054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).