2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide

C18H19N5O2 — CID 83276946

IUPAC2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc(-c3noc(C4CC4)n3)c2)cc1C
InChIInChI=1S/C18H19N5O2/c1-11-3-6-14(7-12(11)2)20-16(24)9-23-8-15(19-10-23)17-21-18(25-22-17)13-4-5-13/h3,6-8,10,13H,4-5,9H2,1-2H3,(H,20,24)
InChIKeyPHXVVUJHZWIVFR-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.07
Rot. Bonds5

About 2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide

2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 83276946) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide
PubChem CID83276946
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc(-c3noc(C4CC4)n3)c2)cc1C
InChIInChI=1S/C18H19N5O2/c1-11-3-6-14(7-12(11)2)20-16(24)9-23-8-15(19-10-23)17-21-18(25-22-17)13-4-5-13/h3,6-8,10,13H,4-5,9H2,1-2H3,(H,20,24)
InChIKeyPHXVVUJHZWIVFR-UHFFFAOYSA-N
XLogP3.07
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 122278422
N-(3-bromophenyl)-2-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
CID 53178172
N-(3-chloro-4-methoxyphenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178001
N-(3,4-difluorophenyl)-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177910
N-phenyl-2-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177985
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-(2-methylphenyl)acetamide
CID 53178126
N-(3-bromophenyl)-2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
CID 53178155
(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 7283792
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 60568381
2-(4-acetamidophenyl)-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 53041723
2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-methyl-4-oxopyrimido[5,4-b]indol-5-yl]-N-(3,4-dimethylphenyl)acetamide
CID 50831789
N-(2,3-dimethylphenyl)-2-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177935

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide (CID 83276946) is 2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cn2cnc(-c3noc(C4CC4)n3)c2)cc1C.
What is the InChIKey of 2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is PHXVVUJHZWIVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-3-6-14(7-12(11)2)20-16(24)9-23-8-15(19-10-23)17-21-18(25-22-17)13-4-5-13/h3,6-8,10,13H,4-5,9H2,1-2H3,(H,20,24).
What are the key properties of 2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide?
2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 83276946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).