2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide

C25H22N6O6S — CID 87220929

About 2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide

2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 87220929) has the molecular formula C25H22N6O6S and a molecular weight of 534.55 g/mol. Its IUPAC name is 2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide
• PubChem CID: 87220929
• Molecular Formula: C25H22N6O6S
• Molecular Weight: 534.55 g/mol
• Exact Mass: 534.13
• IUPAC Name: 2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide
• SMILES: Cc1nnc(-c2ccc(Oc3cc(OC4CCN(C)C4=O)cc(C(=O)Nc4nc(C(N)=O)cs4)c3)cc2)o1
• InChI: InChI=1S/C25H22N6O6S/c1-13-29-30-23(35-13)14-3-5-16(6-4-14)36-17-9-15(22(33)28-25-27-19(12-38-25)21(26)32)10-18(11-17)37-20-7-8-31(2)24(20)34/h3-6,9-12,20H,7-8H2,1-2H3,(H2,26,32)(H,27,28,33)
• InChIKey: DMEHJBOHKPGDPP-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 162.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.55
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide (CID 87220929) is 2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide is Cc1nnc(-c2ccc(Oc3cc(OC4CCN(C)C4=O)cc(C(=O)Nc4nc(C(N)=O)cs4)c3)cc2)o1.

What is the InChIKey of 2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide?

The InChIKey is DMEHJBOHKPGDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O6S/c1-13-29-30-23(35-13)14-3-5-16(6-4-14)36-17-9-15(22(33)28-25-27-19(12-38-25)21(26)32)10-18(11-17)37-20-7-8-31(2)24(20)34/h3-6,9-12,20H,7-8H2,1-2H3,(H2,26,32)(H,27,28,33).

What are the key properties of 2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide?

2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 534.55 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 87220929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).