3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2-oxoazepan-3-yl)propanamide

C18H19Cl2N3O3 — CID 55683652

IUPAC3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2-oxoazepan-3-yl)propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NC1CCCCNC1=O
InChIInChI=1S/C18H19Cl2N3O3/c19-11-4-5-12(13(20)9-11)15-10-22-17(26-15)7-6-16(24)23-14-3-1-2-8-21-18(14)25/h4-5,9-10,14H,1-3,6-8H2,(H,21,25)(H,23,24)
InChIKeyXGDYQCDFPSDTEE-UHFFFAOYSA-N
MW396.27 g/mol
LogP3.37
Rot. Bonds5

About 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2-oxoazepan-3-yl)propanamide

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2-oxoazepan-3-yl)propanamide (PubChem CID 55683652) has the molecular formula C18H19Cl2N3O3 and a molecular weight of 396.27 g/mol. Its IUPAC name is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2-oxoazepan-3-yl)propanamide.

Molecular Properties

Compound Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2-oxoazepan-3-yl)propanamide
PubChem CID55683652
Molecular FormulaC18H19Cl2N3O3
Molecular Weight396.27 g/mol
Exact Mass395.08
IUPAC Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2-oxoazepan-3-yl)propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NC1CCCCNC1=O
InChIInChI=1S/C18H19Cl2N3O3/c19-11-4-5-12(13(20)9-11)15-10-22-17(26-15)7-6-16(24)23-14-3-1-2-8-21-18(14)25/h4-5,9-10,14H,1-3,6-8H2,(H,21,25)(H,23,24)
InChIKeyXGDYQCDFPSDTEE-UHFFFAOYSA-N
XLogP3.37
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103637
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide
CID 51312308
N-[(4-chlorophenyl)methyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590238
N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590165
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119573335
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 17444318
1-(1,4-diazepan-1-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 119415447
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride
CID 119442139
N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 42931318
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 16591104
N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590219
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-oxoazepan-1-yl)ethyl]propanamide
CID 39514221

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2-oxoazepan-3-yl)propanamide?
The IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2-oxoazepan-3-yl)propanamide (CID 55683652) is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2-oxoazepan-3-yl)propanamide.
What is the SMILES notation for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2-oxoazepan-3-yl)propanamide?
The canonical SMILES for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2-oxoazepan-3-yl)propanamide is O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NC1CCCCNC1=O.
What is the InChIKey of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2-oxoazepan-3-yl)propanamide?
The InChIKey is XGDYQCDFPSDTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3/c19-11-4-5-12(13(20)9-11)15-10-22-17(26-15)7-6-16(24)23-14-3-1-2-8-21-18(14)25/h4-5,9-10,14H,1-3,6-8H2,(H,21,25)(H,23,24).
What are the key properties of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2-oxoazepan-3-yl)propanamide?
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2-oxoazepan-3-yl)propanamide has a molecular weight of 396.27 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2-oxoazepan-3-yl)propanamide is sourced from PubChem (CID 55683652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).