N-(1-benzylimidazol-2-yl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide

C20H15ClN4O2 — CID 51118939

IUPACN-(1-benzylimidazol-2-yl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1nccn1Cc1ccccc1)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C20H15ClN4O2/c21-16-8-4-7-15(11-16)18-12-17(24-27-18)19(26)23-20-22-9-10-25(20)13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23,26)
InChIKeyYKTTZGPEPLYAHN-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.49
Rot. Bonds5

About N-(1-benzylimidazol-2-yl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide

N-(1-benzylimidazol-2-yl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 51118939) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is N-(1-benzylimidazol-2-yl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylimidazol-2-yl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID51118939
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC NameN-(1-benzylimidazol-2-yl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1nccn1Cc1ccccc1)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C20H15ClN4O2/c21-16-8-4-7-15(11-16)18-12-17(24-27-18)19(26)23-20-22-9-10-25(20)13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23,26)
InChIKeyYKTTZGPEPLYAHN-UHFFFAOYSA-N
XLogP4.49
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylimidazol-2-yl)-2-phenylpyrimidine-5-carboxamide
CID 51126740
5-(3-chlorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 78862555
3-(1-benzylimidazol-2-yl)-5-phenyl-1,2-oxazole
CID 6421530
5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 37341737
5-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 110908974
5-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide
CID 55638985
N-[4-(3-amino-3-oxopropoxy)phenyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 55839867
5-(3-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 56554888
N-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119630177
1-amino-N-(1-benzylimidazol-2-yl)cyclopropane-1-carboxamide
CID 119738584
N-[4-(furan-2-carbonylamino)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51327615
N-(3-ethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285951

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylimidazol-2-yl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-benzylimidazol-2-yl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide (CID 51118939) is N-(1-benzylimidazol-2-yl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylimidazol-2-yl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-benzylimidazol-2-yl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide is O=C(Nc1nccn1Cc1ccccc1)c1cc(-c2cccc(Cl)c2)on1.
What is the InChIKey of N-(1-benzylimidazol-2-yl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is YKTTZGPEPLYAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c21-16-8-4-7-15(11-16)18-12-17(24-27-18)19(26)23-20-22-9-10-25(20)13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23,26).
What are the key properties of N-(1-benzylimidazol-2-yl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide?
N-(1-benzylimidazol-2-yl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 378.82 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylimidazol-2-yl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51118939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).