3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea

C15H21N5O3 — CID 126447147

About 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea

3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea (PubChem CID 126447147) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea.

Molecular Properties

• Compound Name: 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea
• PubChem CID: 126447147
• Molecular Formula: C15H21N5O3
• Molecular Weight: 319.37 g/mol
• Exact Mass: 319.16
• IUPAC Name: 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea
• SMILES: CCc1nc(CNC(=O)N(C)[C@@H](COC)c2ccccn2)no1
• InChI: InChI=1S/C15H21N5O3/c1-4-14-18-13(19-23-14)9-17-15(21)20(2)12(10-22-3)11-7-5-6-8-16-11/h5-8,12H,4,9-10H2,1-3H3,(H,17,21)/t12-/m0/s1
• InChIKey: LNZATHLGFHRZNO-LBPRGKRZSA-N
• XLogP: 1.56
• TPSA: 93.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.37
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea?

The IUPAC name of 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea (CID 126447147) is 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea.

What is the SMILES notation for 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea?

The canonical SMILES for 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea is CCc1nc(CNC(=O)N(C)[C@@H](COC)c2ccccn2)no1.

What is the InChIKey of 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea?

The InChIKey is LNZATHLGFHRZNO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-4-14-18-13(19-23-14)9-17-15(21)20(2)12(10-22-3)11-7-5-6-8-16-11/h5-8,12H,4,9-10H2,1-3H3,(H,17,21)/t12-/m0/s1.

What are the key properties of 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea?

3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea has a molecular weight of 319.37 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea is sourced from PubChem (CID 126447147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).