N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide

C18H17N5O3S — CID 95221880

About N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide

N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide (PubChem CID 95221880) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 95221880
• Molecular Formula: C18H17N5O3S
• Molecular Weight: 383.43 g/mol
• Exact Mass: 383.11
• IUPAC Name: N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide
• SMILES: Cc1nc2cc(OCc3nc(C(=O)N[C@H](C)c4ncc[nH]4)co3)ccc2s1
• InChI: InChI=1S/C18H17N5O3S/c1-10(17-19-5-6-20-17)21-18(24)14-8-26-16(23-14)9-25-12-3-4-15-13(7-12)22-11(2)27-15/h3-8,10H,9H2,1-2H3,(H,19,20)(H,21,24)/t10-/m1/s1
• InChIKey: QXHPEXSLUQMKIW-SNVBAGLBSA-N
• XLogP: 3.39
• TPSA: 105.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.43
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide (CID 95221880) is N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide.

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

The canonical SMILES for N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide is Cc1nc2cc(OCc3nc(C(=O)N[C@H](C)c4ncc[nH]4)co3)ccc2s1.

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

The InChIKey is QXHPEXSLUQMKIW-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-10(17-19-5-6-20-17)21-18(24)14-8-26-16(23-14)9-25-12-3-4-15-13(7-12)22-11(2)27-15/h3-8,10H,9H2,1-2H3,(H,19,20)(H,21,24)/t10-/m1/s1.

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

N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 95221880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).