N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C21H17N5O3S — CID 78869742

About N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 78869742) has the molecular formula C21H17N5O3S and a molecular weight of 419.47 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

• Compound Name: N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
• PubChem CID: 78869742
• Molecular Formula: C21H17N5O3S
• Molecular Weight: 419.47 g/mol
• Exact Mass: 419.11
• IUPAC Name: N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
• SMILES: O=C(CCc1nc(-c2ccccn2)no1)Nc1nc(-c2ccc3c(c2)CCO3)cs1
• InChI: InChI=1S/C21H17N5O3S/c27-18(6-7-19-25-20(26-29-19)15-3-1-2-9-22-15)24-21-23-16(12-30-21)13-4-5-17-14(11-13)8-10-28-17/h1-5,9,11-12H,6-8,10H2,(H,23,24,27)
• InChIKey: OWJWYHPDPQSAAR-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 103.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.47
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 78869742) is N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

What is the SMILES notation for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The canonical SMILES for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccccn2)no1)Nc1nc(-c2ccc3c(c2)CCO3)cs1.

What is the InChIKey of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The InChIKey is OWJWYHPDPQSAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3S/c27-18(6-7-19-25-20(26-29-19)15-3-1-2-9-22-15)24-21-23-16(12-30-21)13-4-5-17-14(11-13)8-10-28-17/h1-5,9,11-12H,6-8,10H2,(H,23,24,27).

What are the key properties of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 419.47 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 78869742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).