3-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]anilino]pyrazine-2-carbonitrile;5-methoxypyridin-2-amine

C22H24N8O2 — CID 159211586

About 3-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]anilino]pyrazine-2-carbonitrile;5-methoxypyridin-2-amine

3-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]anilino]pyrazine-2-carbonitrile;5-methoxypyridin-2-amine (PubChem CID 159211586) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 3-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]anilino]pyrazine-2-carbonitrile;5-methoxypyridin-2-amine.

Molecular Properties

• Compound Name: 3-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]anilino]pyrazine-2-carbonitrile;5-methoxypyridin-2-amine
• PubChem CID: 159211586
• Molecular Formula: C22H24N8O2
• Molecular Weight: 432.49 g/mol
• Exact Mass: 432.20
• IUPAC Name: 3-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]anilino]pyrazine-2-carbonitrile;5-methoxypyridin-2-amine
• SMILES: COc1ccc(N)nc1.N#Cc1nccnc1Nc1ccc(CC[C@H]2COC(N)=N2)cc1
• InChI: InChI=1S/C16H16N6O.C6H8N2O/c17-9-14-15(20-8-7-19-14)21-12-4-1-11(2-5-12)3-6-13-10-23-16(18)22-13;1-9-5-2-3-6(7)8-4-5/h1-2,4-5,7-8,13H,3,6,10H2,(H2,18,22)(H,20,21);2-4H,1H3,(H2,7,8)/t13-;/m0./s1
• InChIKey: KQOCKHTWARSCGJ-ZOWNYOTGSA-N
• XLogP: 2.41
• TPSA: 157.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.49
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]anilino]pyrazine-2-carbonitrile;5-methoxypyridin-2-amine?

The IUPAC name of 3-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]anilino]pyrazine-2-carbonitrile;5-methoxypyridin-2-amine (CID 159211586) is 3-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]anilino]pyrazine-2-carbonitrile;5-methoxypyridin-2-amine.

What is the SMILES notation for 3-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]anilino]pyrazine-2-carbonitrile;5-methoxypyridin-2-amine?

The canonical SMILES for 3-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]anilino]pyrazine-2-carbonitrile;5-methoxypyridin-2-amine is COc1ccc(N)nc1.N#Cc1nccnc1Nc1ccc(CC[C@H]2COC(N)=N2)cc1.

What is the InChIKey of 3-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]anilino]pyrazine-2-carbonitrile;5-methoxypyridin-2-amine?

The InChIKey is KQOCKHTWARSCGJ-ZOWNYOTGSA-N. The full InChI is InChI=1S/C16H16N6O.C6H8N2O/c17-9-14-15(20-8-7-19-14)21-12-4-1-11(2-5-12)3-6-13-10-23-16(18)22-13;1-9-5-2-3-6(7)8-4-5/h1-2,4-5,7-8,13H,3,6,10H2,(H2,18,22)(H,20,21);2-4H,1H3,(H2,7,8)/t13-;/m0./s1.

What are the key properties of 3-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]anilino]pyrazine-2-carbonitrile;5-methoxypyridin-2-amine?

3-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]anilino]pyrazine-2-carbonitrile;5-methoxypyridin-2-amine has a molecular weight of 432.49 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]anilino]pyrazine-2-carbonitrile;5-methoxypyridin-2-amine is sourced from PubChem (CID 159211586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).