4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]benzamide

C20H15FN4O2 — CID 134811220

IUPAC4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]benzamide
SMILESCc1noc2c(Nc3ccc(C(N)=O)cc3)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C20H15FN4O2/c1-11-18-19(27-25-11)17(23-15-8-4-13(5-9-15)20(22)26)10-16(24-18)12-2-6-14(21)7-3-12/h2-10H,1H3,(H2,22,26)(H,23,24)
InChIKeyPYPLIVUISMUZFB-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.18
Rot. Bonds4

About 4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]benzamide

4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]benzamide (PubChem CID 134811220) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is 4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]benzamide
PubChem CID134811220
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC Name4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]benzamide
SMILESCc1noc2c(Nc3ccc(C(N)=O)cc3)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C20H15FN4O2/c1-11-18-19(27-25-11)17(23-15-8-4-13(5-9-15)20(22)26)10-16(24-18)12-2-6-14(21)7-3-12/h2-10H,1H3,(H2,22,26)(H,23,24)
InChIKeyPYPLIVUISMUZFB-UHFFFAOYSA-N
XLogP4.18
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]benzamide?
The IUPAC name of 4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]benzamide (CID 134811220) is 4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]benzamide.
What is the SMILES notation for 4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]benzamide?
The canonical SMILES for 4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]benzamide is Cc1noc2c(Nc3ccc(C(N)=O)cc3)cc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]benzamide?
The InChIKey is PYPLIVUISMUZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2/c1-11-18-19(27-25-11)17(23-15-8-4-13(5-9-15)20(22)26)10-16(24-18)12-2-6-14(21)7-3-12/h2-10H,1H3,(H2,22,26)(H,23,24).
What are the key properties of 4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]benzamide?
4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]benzamide has a molecular weight of 362.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]benzamide is sourced from PubChem (CID 134811220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).