2-[cyclohexylmethyl-[(2,4-dichlorophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C20H24Cl2N4O3 — CID 4675007

About 2-[cyclohexylmethyl-[(2,4-dichlorophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[cyclohexylmethyl-[(2,4-dichlorophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 4675007) has the molecular formula C20H24Cl2N4O3 and a molecular weight of 439.34 g/mol. Its IUPAC name is 2-[cyclohexylmethyl-[(2,4-dichlorophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[cyclohexylmethyl-[(2,4-dichlorophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• PubChem CID: 4675007
• Molecular Formula: C20H24Cl2N4O3
• Molecular Weight: 439.34 g/mol
• Exact Mass: 438.12
• IUPAC Name: 2-[cyclohexylmethyl-[(2,4-dichlorophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• SMILES: Cc1cc(NC(=O)CN(CC2CCCCC2)C(=O)Nc2ccc(Cl)cc2Cl)no1
• InChI: InChI=1S/C20H24Cl2N4O3/c1-13-9-18(25-29-13)24-19(27)12-26(11-14-5-3-2-4-6-14)20(28)23-17-8-7-15(21)10-16(17)22/h7-10,14H,2-6,11-12H2,1H3,(H,23,28)(H,24,25,27)
• InChIKey: IXKXNYGVKBTDNL-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 87.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.34
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl-[(2,4-dichlorophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The IUPAC name of 2-[cyclohexylmethyl-[(2,4-dichlorophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 4675007) is 2-[cyclohexylmethyl-[(2,4-dichlorophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

What is the SMILES notation for 2-[cyclohexylmethyl-[(2,4-dichlorophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The canonical SMILES for 2-[cyclohexylmethyl-[(2,4-dichlorophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN(CC2CCCCC2)C(=O)Nc2ccc(Cl)cc2Cl)no1.

What is the InChIKey of 2-[cyclohexylmethyl-[(2,4-dichlorophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The InChIKey is IXKXNYGVKBTDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O3/c1-13-9-18(25-29-13)24-19(27)12-26(11-14-5-3-2-4-6-14)20(28)23-17-8-7-15(21)10-16(17)22/h7-10,14H,2-6,11-12H2,1H3,(H,23,28)(H,24,25,27).

What are the key properties of 2-[cyclohexylmethyl-[(2,4-dichlorophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

2-[cyclohexylmethyl-[(2,4-dichlorophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 439.34 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclohexylmethyl-[(2,4-dichlorophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 4675007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).