N-benzyl-2-(3-chlorophenyl)-N-methyl-[1,3]oxazolo[5,4-b]pyridin-5-amine

C20H16ClN3O — CID 71256298

IUPACN-benzyl-2-(3-chlorophenyl)-N-methyl-[1,3]oxazolo[5,4-b]pyridin-5-amine
SMILESCN(Cc1ccccc1)c1ccc2nc(-c3cccc(Cl)c3)oc2n1
InChIInChI=1S/C20H16ClN3O/c1-24(13-14-6-3-2-4-7-14)18-11-10-17-20(23-18)25-19(22-17)15-8-5-9-16(21)12-15/h2-12H,13H2,1H3
InChIKeyFOIHFZFCWPDSTI-UHFFFAOYSA-N
MW349.82 g/mol
LogP5.18
Rot. Bonds4

About N-benzyl-2-(3-chlorophenyl)-N-methyl-[1,3]oxazolo[5,4-b]pyridin-5-amine

N-benzyl-2-(3-chlorophenyl)-N-methyl-[1,3]oxazolo[5,4-b]pyridin-5-amine (PubChem CID 71256298) has the molecular formula C20H16ClN3O and a molecular weight of 349.82 g/mol. Its IUPAC name is N-benzyl-2-(3-chlorophenyl)-N-methyl-[1,3]oxazolo[5,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN-benzyl-2-(3-chlorophenyl)-N-methyl-[1,3]oxazolo[5,4-b]pyridin-5-amine
PubChem CID71256298
Molecular FormulaC20H16ClN3O
Molecular Weight349.82 g/mol
Exact Mass349.10
IUPAC NameN-benzyl-2-(3-chlorophenyl)-N-methyl-[1,3]oxazolo[5,4-b]pyridin-5-amine
SMILESCN(Cc1ccccc1)c1ccc2nc(-c3cccc(Cl)c3)oc2n1
InChIInChI=1S/C20H16ClN3O/c1-24(13-14-6-3-2-4-7-14)18-11-10-17-20(23-18)25-19(22-17)15-8-5-9-16(21)12-15/h2-12H,13H2,1H3
InChIKeyFOIHFZFCWPDSTI-UHFFFAOYSA-N
XLogP5.18
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.82
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-chlorophenyl)-N-methyl-[1,3]oxazolo[5,4-b]pyridin-5-amine?
The IUPAC name of N-benzyl-2-(3-chlorophenyl)-N-methyl-[1,3]oxazolo[5,4-b]pyridin-5-amine (CID 71256298) is N-benzyl-2-(3-chlorophenyl)-N-methyl-[1,3]oxazolo[5,4-b]pyridin-5-amine.
What is the SMILES notation for N-benzyl-2-(3-chlorophenyl)-N-methyl-[1,3]oxazolo[5,4-b]pyridin-5-amine?
The canonical SMILES for N-benzyl-2-(3-chlorophenyl)-N-methyl-[1,3]oxazolo[5,4-b]pyridin-5-amine is CN(Cc1ccccc1)c1ccc2nc(-c3cccc(Cl)c3)oc2n1.
What is the InChIKey of N-benzyl-2-(3-chlorophenyl)-N-methyl-[1,3]oxazolo[5,4-b]pyridin-5-amine?
The InChIKey is FOIHFZFCWPDSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O/c1-24(13-14-6-3-2-4-7-14)18-11-10-17-20(23-18)25-19(22-17)15-8-5-9-16(21)12-15/h2-12H,13H2,1H3.
What are the key properties of N-benzyl-2-(3-chlorophenyl)-N-methyl-[1,3]oxazolo[5,4-b]pyridin-5-amine?
N-benzyl-2-(3-chlorophenyl)-N-methyl-[1,3]oxazolo[5,4-b]pyridin-5-amine has a molecular weight of 349.82 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-chlorophenyl)-N-methyl-[1,3]oxazolo[5,4-b]pyridin-5-amine is sourced from PubChem (CID 71256298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).