3-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]imidazole-4-carboxamide

C12H17N5O2 — CID 118775391

IUPAC3-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]imidazole-4-carboxamide
SMILESCC(C)Cc1nc(CNC(=O)c2cncn2C)no1
InChIInChI=1S/C12H17N5O2/c1-8(2)4-11-15-10(16-19-11)6-14-12(18)9-5-13-7-17(9)3/h5,7-8H,4,6H2,1-3H3,(H,14,18)
InChIKeyQKAUXGGGJHOHMR-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.93
Rot. Bonds5

About 3-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]imidazole-4-carboxamide

3-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]imidazole-4-carboxamide (PubChem CID 118775391) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]imidazole-4-carboxamide
PubChem CID118775391
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name3-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]imidazole-4-carboxamide
SMILESCC(C)Cc1nc(CNC(=O)c2cncn2C)no1
InChIInChI=1S/C12H17N5O2/c1-8(2)4-11-15-10(16-19-11)6-14-12(18)9-5-13-7-17(9)3/h5,7-8H,4,6H2,1-3H3,(H,14,18)
InChIKeyQKAUXGGGJHOHMR-UHFFFAOYSA-N
XLogP0.93
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 118770027
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 50755004
3-cyano-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755069
2-hydroxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylsulfanylbutanamide
CID 118768053
N-(2-bromo-3-methylbutyl)-3-methylimidazole-4-carboxamide
CID 103512202
3-methyl-N-(5-methyl-1,2-oxazol-3-yl)imidazole-4-carboxamide
CID 110865549
3-methyl-N-propylimidazole-4-carboxamide
CID 23552392
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-methylimidazole-4-carboxamide
CID 125445492
N-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide
CID 77094118
2-(4-chloropyrazol-1-yl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 91783732
N-(3-chloropropyl)-3-methylimidazole-4-carboxamide
CID 103511152
2-hydroxy-4-[(3-methylimidazole-4-carbonyl)amino]butanoic acid
CID 107832370

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]imidazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]imidazole-4-carboxamide (CID 118775391) is 3-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]imidazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]imidazole-4-carboxamide is CC(C)Cc1nc(CNC(=O)c2cncn2C)no1.
What is the InChIKey of 3-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]imidazole-4-carboxamide?
The InChIKey is QKAUXGGGJHOHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8(2)4-11-15-10(16-19-11)6-14-12(18)9-5-13-7-17(9)3/h5,7-8H,4,6H2,1-3H3,(H,14,18).
What are the key properties of 3-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]imidazole-4-carboxamide?
3-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]imidazole-4-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 118775391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).