N-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine

C17H19FN4O — CID 134806935

IUPACN-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1noc2c(NCCN(C)C)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C17H19FN4O/c1-11-16-17(23-21-11)15(19-8-9-22(2)3)10-14(20-16)12-4-6-13(18)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,19,20)
InChIKeyXUNDJDOIEVTVAI-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.31
Rot. Bonds5

About N-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine

N-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 134806935) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID134806935
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC NameN-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1noc2c(NCCN(C)C)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C17H19FN4O/c1-11-16-17(23-21-11)15(19-8-9-22(2)3)10-14(20-16)12-4-6-13(18)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,19,20)
InChIKeyXUNDJDOIEVTVAI-UHFFFAOYSA-N
XLogP3.31
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine (CID 134806935) is N-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine is Cc1noc2c(NCCN(C)C)cc(-c3ccc(F)cc3)nc12.
What is the InChIKey of N-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is XUNDJDOIEVTVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-11-16-17(23-21-11)15(19-8-9-22(2)3)10-14(20-16)12-4-6-13(18)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,19,20).
What are the key properties of N-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine?
N-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 314.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 134806935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).