3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea

C14H18N4O2S — CID 122565612

About 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea

3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea (PubChem CID 122565612) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea.

Molecular Properties

• Compound Name: 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
• PubChem CID: 122565612
• Molecular Formula: C14H18N4O2S
• Molecular Weight: 306.39 g/mol
• Exact Mass: 306.12
• IUPAC Name: 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
• SMILES: Cc1ccsc1CN(C)C(=O)NCc1noc(C2CC2)n1
• InChI: InChI=1S/C14H18N4O2S/c1-9-5-6-21-11(9)8-18(2)14(19)15-7-12-16-13(20-17-12)10-3-4-10/h5-6,10H,3-4,7-8H2,1-2H3,(H,15,19)
• InChIKey: AFFNIEWXRNXTNY-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.39
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea?

The IUPAC name of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea (CID 122565612) is 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea.

What is the SMILES notation for 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea?

The canonical SMILES for 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea is Cc1ccsc1CN(C)C(=O)NCc1noc(C2CC2)n1.

What is the InChIKey of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea?

The InChIKey is AFFNIEWXRNXTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9-5-6-21-11(9)8-18(2)14(19)15-7-12-16-13(20-17-12)10-3-4-10/h5-6,10H,3-4,7-8H2,1-2H3,(H,15,19).

What are the key properties of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea?

3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea has a molecular weight of 306.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 122565612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).