2-[propan-2-yl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid

C14H17N3O4S — CID 119198537

About 2-[propan-2-yl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid

2-[propan-2-yl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid (PubChem CID 119198537) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-[propan-2-yl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[propan-2-yl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
• PubChem CID: 119198537
• Molecular Formula: C14H17N3O4S
• Molecular Weight: 323.37 g/mol
• Exact Mass: 323.09
• IUPAC Name: 2-[propan-2-yl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
• SMILES: CC(C)N(CC(=O)O)C(=O)CCc1nc(-c2cccs2)no1
• InChI: InChI=1S/C14H17N3O4S/c1-9(2)17(8-13(19)20)12(18)6-5-11-15-14(16-21-11)10-4-3-7-22-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,19,20)
• InChIKey: QZQZWJAOYARMSH-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 96.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.37
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid?

The IUPAC name of 2-[propan-2-yl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid (CID 119198537) is 2-[propan-2-yl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid.

What is the SMILES notation for 2-[propan-2-yl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid?

The canonical SMILES for 2-[propan-2-yl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid is CC(C)N(CC(=O)O)C(=O)CCc1nc(-c2cccs2)no1.

What is the InChIKey of 2-[propan-2-yl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid?

The InChIKey is QZQZWJAOYARMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-9(2)17(8-13(19)20)12(18)6-5-11-15-14(16-21-11)10-4-3-7-22-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,19,20).

What are the key properties of 2-[propan-2-yl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid?

2-[propan-2-yl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid has a molecular weight of 323.37 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[propan-2-yl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid is sourced from PubChem (CID 119198537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).