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

C26H20ClN5O2 — CID 55991548

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C26H20ClN5O2/c27-20-12-6-4-10-18(20)22-16-28-24(34-22)15-14-23(33)29-21-13-7-5-11-19(21)26-30-25(31-32-26)17-8-2-1-3-9-17/h1-13,16H,14-15H2,(H,29,33)(H,30,31,32)
InChIKeyMTVAMZRUBBSWLB-UHFFFAOYSA-N
MW469.93 g/mol
LogP6.02
Rot. Bonds7

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

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]propanamide (PubChem CID 55991548) has the molecular formula C26H20ClN5O2 and a molecular weight of 469.93 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]propanamide
PubChem CID55991548
Molecular FormulaC26H20ClN5O2
Molecular Weight469.93 g/mol
Exact Mass469.13
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C26H20ClN5O2/c27-20-12-6-4-10-18(20)22-16-28-24(34-22)15-14-23(33)29-21-13-7-5-11-19(21)26-30-25(31-32-26)17-8-2-1-3-9-17/h1-13,16H,14-15H2,(H,29,33)(H,30,31,32)
InChIKeyMTVAMZRUBBSWLB-UHFFFAOYSA-N
XLogP6.02
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.93
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590370
N-benzyl-2-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
CID 24676617
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 16600031
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 16583617
N'-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 55494267
N-(2-benzylpyrazol-3-yl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 29492909
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide
CID 55895972
[2-(2-chloroanilino)-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate
CID 42295659
2-(2-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 55990912
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(1-phenylcyclobutyl)propanamide
CID 51316256
N-[2-oxo-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)anilino]ethyl]-2-phenylacetamide
CID 55990783
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]butanamide
CID 55990026

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]propanamide?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]propanamide (CID 55991548) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]propanamide?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]propanamide is O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]propanamide?
The InChIKey is MTVAMZRUBBSWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN5O2/c27-20-12-6-4-10-18(20)22-16-28-24(34-22)15-14-23(33)29-21-13-7-5-11-19(21)26-30-25(31-32-26)17-8-2-1-3-9-17/h1-13,16H,14-15H2,(H,29,33)(H,30,31,32).
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]propanamide?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]propanamide has a molecular weight of 469.93 g/mol, XLogP of 6.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 55991548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).