N-cyclohexyl-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-(1,3-thiazol-2-yl)propanamide

C19H27N5O3S — CID 78842238

About N-cyclohexyl-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-(1,3-thiazol-2-yl)propanamide

N-cyclohexyl-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 78842238) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-cyclohexyl-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-(1,3-thiazol-2-yl)propanamide
• PubChem CID: 78842238
• Molecular Formula: C19H27N5O3S
• Molecular Weight: 405.52 g/mol
• Exact Mass: 405.18
• IUPAC Name: N-cyclohexyl-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-(1,3-thiazol-2-yl)propanamide
• SMILES: Cc1cc(NC(=O)CN(C)C(C)C(=O)N(c2nccs2)C2CCCCC2)no1
• InChI: InChI=1S/C19H27N5O3S/c1-13-11-16(22-27-13)21-17(25)12-23(3)14(2)18(26)24(19-20-9-10-28-19)15-7-5-4-6-8-15/h9-11,14-15H,4-8,12H2,1-3H3,(H,21,22,25)
• InChIKey: LNJSFCWCQLNQBP-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 91.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.52
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-(1,3-thiazol-2-yl)propanamide?

The IUPAC name of N-cyclohexyl-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-(1,3-thiazol-2-yl)propanamide (CID 78842238) is N-cyclohexyl-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-(1,3-thiazol-2-yl)propanamide.

What is the SMILES notation for N-cyclohexyl-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-(1,3-thiazol-2-yl)propanamide?

The canonical SMILES for N-cyclohexyl-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-(1,3-thiazol-2-yl)propanamide is Cc1cc(NC(=O)CN(C)C(C)C(=O)N(c2nccs2)C2CCCCC2)no1.

What is the InChIKey of N-cyclohexyl-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-(1,3-thiazol-2-yl)propanamide?

The InChIKey is LNJSFCWCQLNQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-13-11-16(22-27-13)21-17(25)12-23(3)14(2)18(26)24(19-20-9-10-28-19)15-7-5-4-6-8-15/h9-11,14-15H,4-8,12H2,1-3H3,(H,21,22,25).

What are the key properties of N-cyclohexyl-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-(1,3-thiazol-2-yl)propanamide?

N-cyclohexyl-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 405.52 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 78842238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).