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

C20H15Cl2N5O2 — CID 112835322

IUPAC3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(triazol-1-yl)phenyl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1-n1ccnn1
InChIInChI=1S/C20H15Cl2N5O2/c21-13-5-6-14(15(22)11-13)18-12-23-20(29-18)8-7-19(28)25-16-3-1-2-4-17(16)27-10-9-24-26-27/h1-6,9-12H,7-8H2,(H,25,28)
InChIKeyOMUWZBHRDCSWGH-UHFFFAOYSA-N
MW428.28 g/mol
LogP4.80
Rot. Bonds6

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

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(triazol-1-yl)phenyl]propanamide (PubChem CID 112835322) has the molecular formula C20H15Cl2N5O2 and a molecular weight of 428.28 g/mol. Its IUPAC name is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(triazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(triazol-1-yl)phenyl]propanamide
PubChem CID112835322
Molecular FormulaC20H15Cl2N5O2
Molecular Weight428.28 g/mol
Exact Mass427.06
IUPAC Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(triazol-1-yl)phenyl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1-n1ccnn1
InChIInChI=1S/C20H15Cl2N5O2/c21-13-5-6-14(15(22)11-13)18-12-23-20(29-18)8-7-19(28)25-16-3-1-2-4-17(16)27-10-9-24-26-27/h1-6,9-12H,7-8H2,(H,25,28)
InChIKeyOMUWZBHRDCSWGH-UHFFFAOYSA-N
XLogP4.80
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.28
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide
CID 51312308
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 16591104
N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590165
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-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 30102896
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 42188194
N-[(4-chlorophenyl)methyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590238
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(2-ethoxyphenoxy)acetyl]propanehydrazide
CID 30039999
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16597484
4-(4-chlorophenyl)sulfanyl-N-[2-(triazol-1-yl)phenyl]butanamide
CID 112835247
3-phenothiazin-10-yl-N-[2-(triazol-1-yl)phenyl]propanamide
CID 112835297
N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 42931318

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(triazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(triazol-1-yl)phenyl]propanamide (CID 112835322) is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(triazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(triazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(triazol-1-yl)phenyl]propanamide is O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1-n1ccnn1.
What is the InChIKey of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(triazol-1-yl)phenyl]propanamide?
The InChIKey is OMUWZBHRDCSWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5O2/c21-13-5-6-14(15(22)11-13)18-12-23-20(29-18)8-7-19(28)25-16-3-1-2-4-17(16)27-10-9-24-26-27/h1-6,9-12H,7-8H2,(H,25,28).
What are the key properties of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(triazol-1-yl)phenyl]propanamide?
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(triazol-1-yl)phenyl]propanamide has a molecular weight of 428.28 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(triazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 112835322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).