5-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide

C16H14Cl2N4O2 — CID 6619178

IUPAC5-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(-c2ccc(Cl)c(Cl)c2)on1
InChIInChI=1S/C16H14Cl2N4O2/c17-12-3-2-11(8-13(12)18)15-9-14(21-24-15)16(23)20-4-1-6-22-7-5-19-10-22/h2-3,5,7-10H,1,4,6H2,(H,20,23)
InChIKeyCYCBIJJVHKJPSK-UHFFFAOYSA-N
MW365.22 g/mol
LogP3.66
Rot. Bonds6

About 5-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide

5-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 6619178) has the molecular formula C16H14Cl2N4O2 and a molecular weight of 365.22 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID6619178
Molecular FormulaC16H14Cl2N4O2
Molecular Weight365.22 g/mol
Exact Mass364.05
IUPAC Name5-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(-c2ccc(Cl)c(Cl)c2)on1
InChIInChI=1S/C16H14Cl2N4O2/c17-12-3-2-11(8-13(12)18)15-9-14(21-24-15)16(23)20-4-1-6-22-7-5-19-10-22/h2-3,5,7-10H,1,4,6H2,(H,20,23)
InChIKeyCYCBIJJVHKJPSK-UHFFFAOYSA-N
XLogP3.66
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837
4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 61229321
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-imidazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 90504343
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 166187049
ethane;5-(furan-2-yl)-N-(2-imidazol-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 166135908
5-[(4-chloro-3-methylphenoxy)methyl]-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 35294139
2-chloro-N-(3-imidazol-1-ylpropyl)-5-[[(2S)-3-methylbutan-2-yl]amino]benzamide
CID 95981751
N-(3-imidazol-1-ylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 86911998
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47447578

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide (CID 6619178) is 5-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide is O=C(NCCCn1ccnc1)c1cc(-c2ccc(Cl)c(Cl)c2)on1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is CYCBIJJVHKJPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O2/c17-12-3-2-11(8-13(12)18)15-9-14(21-24-15)16(23)20-4-1-6-22-7-5-19-10-22/h2-3,5,7-10H,1,4,6H2,(H,20,23).
What are the key properties of 5-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide?
5-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 365.22 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 6619178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).