N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(5-chlorothiophen-2-yl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

C20H18Cl2N4O3S — CID 55875600

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(5-chlorothiophen-2-yl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(5-chlorothiophen-2-yl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 55875600) has the molecular formula C20H18Cl2N4O3S and a molecular weight of 465.36 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(5-chlorothiophen-2-yl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(5-chlorothiophen-2-yl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
• PubChem CID: 55875600
• Molecular Formula: C20H18Cl2N4O3S
• Molecular Weight: 465.36 g/mol
• Exact Mass: 464.05
• IUPAC Name: N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(5-chlorothiophen-2-yl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
• SMILES: CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C1CC(c2ccc(Cl)s2)=NO1
• InChI: InChI=1S/C20H18Cl2N4O3S/c1-11(2)26(10-18-23-24-19(28-18)12-5-3-4-6-13(12)21)20(27)15-9-14(25-29-15)16-7-8-17(22)30-16/h3-8,11,15H,9-10H2,1-2H3
• InChIKey: AVQXZCFKDCNRLD-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 80.82 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.36
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(5-chlorothiophen-2-yl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?

The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(5-chlorothiophen-2-yl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 55875600) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(5-chlorothiophen-2-yl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(5-chlorothiophen-2-yl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(5-chlorothiophen-2-yl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C1CC(c2ccc(Cl)s2)=NO1.

What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(5-chlorothiophen-2-yl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?

The InChIKey is AVQXZCFKDCNRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O3S/c1-11(2)26(10-18-23-24-19(28-18)12-5-3-4-6-13(12)21)20(27)15-9-14(25-29-15)16-7-8-17(22)30-16/h3-8,11,15H,9-10H2,1-2H3.

What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(5-chlorothiophen-2-yl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(5-chlorothiophen-2-yl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 465.36 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(5-chlorothiophen-2-yl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55875600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).