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

C23H17FN4O3S — CID 55732879

IUPACN-(4-fluorophenyl)-6-(furan-2-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nc(CN(C(=O)c2cc(-c3ccco3)nc3onc(C)c23)c2ccc(F)cc2)cs1
InChIInChI=1S/C23H17FN4O3S/c1-13-21-18(10-19(20-4-3-9-30-20)26-22(21)31-27-13)23(29)28(11-16-12-32-14(2)25-16)17-7-5-15(24)6-8-17/h3-10,12H,11H2,1-2H3
InChIKeySEYQNPDFNLXMOE-UHFFFAOYSA-N
MW448.48 g/mol
LogP5.54
Rot. Bonds5

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

N-(4-fluorophenyl)-6-(furan-2-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55732879) has the molecular formula C23H17FN4O3S and a molecular weight of 448.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-(furan-2-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-(furan-2-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55732879
Molecular FormulaC23H17FN4O3S
Molecular Weight448.48 g/mol
Exact Mass448.10
IUPAC NameN-(4-fluorophenyl)-6-(furan-2-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nc(CN(C(=O)c2cc(-c3ccco3)nc3onc(C)c23)c2ccc(F)cc2)cs1
InChIInChI=1S/C23H17FN4O3S/c1-13-21-18(10-19(20-4-3-9-30-20)26-22(21)31-27-13)23(29)28(11-16-12-32-14(2)25-16)17-7-5-15(24)6-8-17/h3-10,12H,11H2,1-2H3
InChIKeySEYQNPDFNLXMOE-UHFFFAOYSA-N
XLogP5.54
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.48
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-(furan-2-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-(furan-2-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 55732879) is N-(4-fluorophenyl)-6-(furan-2-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-(furan-2-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-(furan-2-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1nc(CN(C(=O)c2cc(-c3ccco3)nc3onc(C)c23)c2ccc(F)cc2)cs1.
What is the InChIKey of N-(4-fluorophenyl)-6-(furan-2-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SEYQNPDFNLXMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O3S/c1-13-21-18(10-19(20-4-3-9-30-20)26-22(21)31-27-13)23(29)28(11-16-12-32-14(2)25-16)17-7-5-15(24)6-8-17/h3-10,12H,11H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-6-(furan-2-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(4-fluorophenyl)-6-(furan-2-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 448.48 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-(furan-2-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55732879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).