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

C22H16FN5O2 — CID 44822005

IUPAC6-(4-fluorophenyl)-3-methyl-N-(1-methylbenzimidazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3nc4ccccc4n3C)c12
InChIInChI=1S/C22H16FN5O2/c1-12-19-15(20(29)26-22-25-16-5-3-4-6-18(16)28(22)2)11-17(24-21(19)30-27-12)13-7-9-14(23)10-8-13/h3-11H,1-2H3,(H,25,26,29)
InChIKeyQQMBQDSCGGOURW-UHFFFAOYSA-N
MW401.40 g/mol
LogP4.48
Rot. Bonds3

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

6-(4-fluorophenyl)-3-methyl-N-(1-methylbenzimidazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44822005) has the molecular formula C22H16FN5O2 and a molecular weight of 401.40 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methyl-N-(1-methylbenzimidazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methyl-N-(1-methylbenzimidazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44822005
Molecular FormulaC22H16FN5O2
Molecular Weight401.40 g/mol
Exact Mass401.13
IUPAC Name6-(4-fluorophenyl)-3-methyl-N-(1-methylbenzimidazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3nc4ccccc4n3C)c12
InChIInChI=1S/C22H16FN5O2/c1-12-19-15(20(29)26-22-25-16-5-3-4-6-18(16)28(22)2)11-17(24-21(19)30-27-12)13-7-9-14(23)10-8-13/h3-11H,1-2H3,(H,25,26,29)
InChIKeyQQMBQDSCGGOURW-UHFFFAOYSA-N
XLogP4.48
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-(1-methylbenzimidazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-(1-methylbenzimidazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44822005) is 6-(4-fluorophenyl)-3-methyl-N-(1-methylbenzimidazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methyl-N-(1-methylbenzimidazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-3-methyl-N-(1-methylbenzimidazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3nc4ccccc4n3C)c12.
What is the InChIKey of 6-(4-fluorophenyl)-3-methyl-N-(1-methylbenzimidazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QQMBQDSCGGOURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O2/c1-12-19-15(20(29)26-22-25-16-5-3-4-6-18(16)28(22)2)11-17(24-21(19)30-27-12)13-7-9-14(23)10-8-13/h3-11H,1-2H3,(H,25,26,29).
What are the key properties of 6-(4-fluorophenyl)-3-methyl-N-(1-methylbenzimidazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(4-fluorophenyl)-3-methyl-N-(1-methylbenzimidazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 401.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methyl-N-(1-methylbenzimidazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44822005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).