3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridin-2-amine

C23H22N4O2 — CID 92869602

IUPAC3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridin-2-amine
SMILESCOc1ccc(-c2noc(-c3cccnc3N[C@@H](C)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C23H22N4O2/c1-15-6-8-17(9-7-15)16(2)25-22-20(5-4-14-24-22)23-26-21(27-29-23)18-10-12-19(28-3)13-11-18/h4-14,16H,1-3H3,(H,24,25)/t16-/m0/s1
InChIKeyOSUZDGSLRGGSAO-INIZCTEOSA-N
MW386.46 g/mol
LogP5.29
Rot. Bonds6

About 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridin-2-amine

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridin-2-amine (PubChem CID 92869602) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridin-2-amine
PubChem CID92869602
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridin-2-amine
SMILESCOc1ccc(-c2noc(-c3cccnc3N[C@@H](C)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C23H22N4O2/c1-15-6-8-17(9-7-15)16(2)25-22-20(5-4-14-24-22)23-26-21(27-29-23)18-10-12-19(28-3)13-11-18/h4-14,16H,1-3H3,(H,24,25)/t16-/m0/s1
InChIKeyOSUZDGSLRGGSAO-INIZCTEOSA-N
XLogP5.29
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.46
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridin-2-amine?
The IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridin-2-amine (CID 92869602) is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridin-2-amine is COc1ccc(-c2noc(-c3cccnc3N[C@@H](C)c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridin-2-amine?
The InChIKey is OSUZDGSLRGGSAO-INIZCTEOSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15-6-8-17(9-7-15)16(2)25-22-20(5-4-14-24-22)23-26-21(27-29-23)18-10-12-19(28-3)13-11-18/h4-14,16H,1-3H3,(H,24,25)/t16-/m0/s1.
What are the key properties of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridin-2-amine?
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridin-2-amine has a molecular weight of 386.46 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 92869602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).