2-chloro-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide

C17H15Cl2N3O3 — CID 167831464

IUPAC2-chloro-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide
SMILESCc1ocnc1CN(Cc1cc(-c2ccc(Cl)cc2)on1)C(=O)CCl
InChIInChI=1S/C17H15Cl2N3O3/c1-11-15(20-10-24-11)9-22(17(23)7-18)8-14-6-16(25-21-14)12-2-4-13(19)5-3-12/h2-6,10H,7-9H2,1H3
InChIKeyBRWIBDBKFWJKCL-UHFFFAOYSA-N
MW380.23 g/mol
LogP4.06
Rot. Bonds6

About 2-chloro-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide

2-chloro-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide (PubChem CID 167831464) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is 2-chloro-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide
PubChem CID167831464
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC Name2-chloro-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide
SMILESCc1ocnc1CN(Cc1cc(-c2ccc(Cl)cc2)on1)C(=O)CCl
InChIInChI=1S/C17H15Cl2N3O3/c1-11-15(20-10-24-11)9-22(17(23)7-18)8-14-6-16(25-21-14)12-2-4-13(19)5-3-12/h2-6,10H,7-9H2,1H3
InChIKeyBRWIBDBKFWJKCL-UHFFFAOYSA-N
XLogP4.06
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide (CID 167831464) is 2-chloro-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide is Cc1ocnc1CN(Cc1cc(-c2ccc(Cl)cc2)on1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide?
The InChIKey is BRWIBDBKFWJKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c1-11-15(20-10-24-11)9-22(17(23)7-18)8-14-6-16(25-21-14)12-2-4-13(19)5-3-12/h2-6,10H,7-9H2,1H3.
What are the key properties of 2-chloro-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide?
2-chloro-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide has a molecular weight of 380.23 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide is sourced from PubChem (CID 167831464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).