5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile

C21H19N5O2 — CID 118984546

About 5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile

5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile (PubChem CID 118984546) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

• Compound Name: 5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
• PubChem CID: 118984546
• Molecular Formula: C21H19N5O2
• Molecular Weight: 373.42 g/mol
• Exact Mass: 373.15
• IUPAC Name: 5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
• SMILES: Cc1nc(CCN(C)c2oc(Cc3cccc4ccccc34)nc2C#N)no1
• InChI: InChI=1S/C21H19N5O2/c1-14-23-19(25-28-14)10-11-26(2)21-18(13-22)24-20(27-21)12-16-8-5-7-15-6-3-4-9-17(15)16/h3-9H,10-12H2,1-2H3
• InChIKey: RURGMTCDGZGFER-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 91.98 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.42
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?

The IUPAC name of 5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile (CID 118984546) is 5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile.

What is the SMILES notation for 5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?

The canonical SMILES for 5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile is Cc1nc(CCN(C)c2oc(Cc3cccc4ccccc34)nc2C#N)no1.

What is the InChIKey of 5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?

The InChIKey is RURGMTCDGZGFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14-23-19(25-28-14)10-11-26(2)21-18(13-22)24-20(27-21)12-16-8-5-7-15-6-3-4-9-17(15)16/h3-9H,10-12H2,1-2H3.

What are the key properties of 5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?

5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 373.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 118984546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).