N-ethyl-2,5-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-4-carboxamide

C18H21N5O2 — CID 131945720

IUPACN-ethyl-2,5-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-4-carboxamide
SMILESCCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1nc(C)[nH]c1C
InChIInChI=1S/C18H21N5O2/c1-5-23(18(24)16-12(3)19-13(4)20-16)10-15-21-17(22-25-15)14-8-6-11(2)7-9-14/h6-9H,5,10H2,1-4H3,(H,19,20)
InChIKeyBSFKRGJMDLCOGB-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.05
Rot. Bonds5

About N-ethyl-2,5-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-4-carboxamide

N-ethyl-2,5-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-4-carboxamide (PubChem CID 131945720) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-ethyl-2,5-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,5-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-4-carboxamide
PubChem CID131945720
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-ethyl-2,5-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-4-carboxamide
SMILESCCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1nc(C)[nH]c1C
InChIInChI=1S/C18H21N5O2/c1-5-23(18(24)16-12(3)19-13(4)20-16)10-15-21-17(22-25-15)14-8-6-11(2)7-9-14/h6-9H,5,10H2,1-4H3,(H,19,20)
InChIKeyBSFKRGJMDLCOGB-UHFFFAOYSA-N
XLogP3.05
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3,5-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8875273
N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 7708621
4-bromo-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835920
4-tert-butyl-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835712
N-ethyl-1-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide
CID 91769806
2-(aminomethyl)-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazole-4-carboxamide;hydrochloride
CID 154912011
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-(4-methylphenyl)acetamide
CID 8874831
N-ethyl-2-(4-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8836273
2-chloro-N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzamide
CID 8874447
1-ethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3R)-2-oxopyrrolidin-3-yl]urea
CID 125439363
1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea
CID 3164417
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-methylbenzamide
CID 6494655

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-4-carboxamide?
The IUPAC name of N-ethyl-2,5-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-4-carboxamide (CID 131945720) is N-ethyl-2,5-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2,5-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-4-carboxamide?
The canonical SMILES for N-ethyl-2,5-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-4-carboxamide is CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1nc(C)[nH]c1C.
What is the InChIKey of N-ethyl-2,5-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-4-carboxamide?
The InChIKey is BSFKRGJMDLCOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-5-23(18(24)16-12(3)19-13(4)20-16)10-15-21-17(22-25-15)14-8-6-11(2)7-9-14/h6-9H,5,10H2,1-4H3,(H,19,20).
What are the key properties of N-ethyl-2,5-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-4-carboxamide?
N-ethyl-2,5-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 131945720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).