3-benzhydryl-N-methyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide

C24H23N3O2S — CID 26353558

About 3-benzhydryl-N-methyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide

3-benzhydryl-N-methyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 26353558) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 3-benzhydryl-N-methyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-benzhydryl-N-methyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide
• PubChem CID: 26353558
• Molecular Formula: C24H23N3O2S
• Molecular Weight: 417.53 g/mol
• Exact Mass: 417.15
• IUPAC Name: 3-benzhydryl-N-methyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide
• SMILES: Cc1csc([C@@H](C)N(C)C(=O)c2cc(C(c3ccccc3)c3ccccc3)no2)n1
• InChI: InChI=1S/C24H23N3O2S/c1-16-15-30-23(25-16)17(2)27(3)24(28)21-14-20(26-29-21)22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-15,17,22H,1-3H3/t17-/m1/s1
• InChIKey: VTWKMMMBBXDTSJ-QGZVFWFLSA-N
• XLogP: 5.45
• TPSA: 59.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.53
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-N-methyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide?

The IUPAC name of 3-benzhydryl-N-methyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide (CID 26353558) is 3-benzhydryl-N-methyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide.

What is the SMILES notation for 3-benzhydryl-N-methyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide?

The canonical SMILES for 3-benzhydryl-N-methyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide is Cc1csc([C@@H](C)N(C)C(=O)c2cc(C(c3ccccc3)c3ccccc3)no2)n1.

What is the InChIKey of 3-benzhydryl-N-methyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide?

The InChIKey is VTWKMMMBBXDTSJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-16-15-30-23(25-16)17(2)27(3)24(28)21-14-20(26-29-21)22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-15,17,22H,1-3H3/t17-/m1/s1.

What are the key properties of 3-benzhydryl-N-methyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide?

3-benzhydryl-N-methyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzhydryl-N-methyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 26353558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).