N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide

C20H18N4O3S — CID 42518962

About N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide

N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide (PubChem CID 42518962) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 42518962
• Molecular Formula: C20H18N4O3S
• Molecular Weight: 394.46 g/mol
• Exact Mass: 394.11
• IUPAC Name: N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
• SMILES: Cc1csc([C@@H](C)NC(=O)c2coc(COc3ccc4ncccc4c3)n2)n1
• InChI: InChI=1S/C20H18N4O3S/c1-12-11-28-20(22-12)13(2)23-19(25)17-9-27-18(24-17)10-26-15-5-6-16-14(8-15)4-3-7-21-16/h3-9,11,13H,10H2,1-2H3,(H,23,25)/t13-/m1/s1
• InChIKey: BJZGPFLMEDOCIP-CYBMUJFWSA-N
• XLogP: 4.06
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.46
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide (CID 42518962) is N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide is Cc1csc([C@@H](C)NC(=O)c2coc(COc3ccc4ncccc4c3)n2)n1.

What is the InChIKey of N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide?

The InChIKey is BJZGPFLMEDOCIP-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-12-11-28-20(22-12)13(2)23-19(25)17-9-27-18(24-17)10-26-15-5-6-16-14(8-15)4-3-7-21-16/h3-9,11,13H,10H2,1-2H3,(H,23,25)/t13-/m1/s1.

What are the key properties of N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide?

N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42518962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).