N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(3-methylimidazol-4-yl)benzamide

C20H23N5O2 — CID 121498181

IUPACN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(3-methylimidazol-4-yl)benzamide
SMILESCCN(Cc1noc(C2CCC2)n1)C(=O)c1ccc(-c2cncn2C)cc1
InChIInChI=1S/C20H23N5O2/c1-3-25(12-18-22-19(27-23-18)15-5-4-6-15)20(26)16-9-7-14(8-10-16)17-11-21-13-24(17)2/h7-11,13,15H,3-6,12H2,1-2H3
InChIKeyGMSQTKTVYCCMSK-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.40
Rot. Bonds6

About N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(3-methylimidazol-4-yl)benzamide

N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(3-methylimidazol-4-yl)benzamide (PubChem CID 121498181) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(3-methylimidazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(3-methylimidazol-4-yl)benzamide
PubChem CID121498181
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(3-methylimidazol-4-yl)benzamide
SMILESCCN(Cc1noc(C2CCC2)n1)C(=O)c1ccc(-c2cncn2C)cc1
InChIInChI=1S/C20H23N5O2/c1-3-25(12-18-22-19(27-23-18)15-5-4-6-15)20(26)16-9-7-14(8-10-16)17-11-21-13-24(17)2/h7-11,13,15H,3-6,12H2,1-2H3
InChIKeyGMSQTKTVYCCMSK-UHFFFAOYSA-N
XLogP3.40
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-propan-2-ylpyrazole-4-carboxamide
CID 70752025
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-sulfamoylbenzamide
CID 77090358
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131904872
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-5-carboxamide
CID 91781941
4-chloro-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide
CID 119063058
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-3-piperidin-3-ylbenzamide
CID 72858448
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 118762456
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-[(2S)-2-methylbutyl]urea
CID 126441521
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea
CID 119068258
2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,5-dimethylpyrazol-4-yl)acetamide
CID 91829337
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(6-methoxy-3-pyridinyl)urea
CID 118760709
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 56871099

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(3-methylimidazol-4-yl)benzamide?
The IUPAC name of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(3-methylimidazol-4-yl)benzamide (CID 121498181) is N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(3-methylimidazol-4-yl)benzamide.
What is the SMILES notation for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(3-methylimidazol-4-yl)benzamide?
The canonical SMILES for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(3-methylimidazol-4-yl)benzamide is CCN(Cc1noc(C2CCC2)n1)C(=O)c1ccc(-c2cncn2C)cc1.
What is the InChIKey of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(3-methylimidazol-4-yl)benzamide?
The InChIKey is GMSQTKTVYCCMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-3-25(12-18-22-19(27-23-18)15-5-4-6-15)20(26)16-9-7-14(8-10-16)17-11-21-13-24(17)2/h7-11,13,15H,3-6,12H2,1-2H3.
What are the key properties of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(3-methylimidazol-4-yl)benzamide?
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(3-methylimidazol-4-yl)benzamide has a molecular weight of 365.44 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(3-methylimidazol-4-yl)benzamide is sourced from PubChem (CID 121498181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).