N-ethyl-5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxamide

C10H18N4O2 — CID 102791394

IUPACN-ethyl-5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(CNCC(C)C)n1
InChIInChI=1S/C10H18N4O2/c1-4-12-10(15)9-13-8(16-14-9)6-11-5-7(2)3/h7,11H,4-6H2,1-3H3,(H,12,15)
InChIKeyBBRXNKYXKFRBIF-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.56
Rot. Bonds6

About N-ethyl-5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxamide

N-ethyl-5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102791394) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-ethyl-5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID102791394
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN-ethyl-5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(CNCC(C)C)n1
InChIInChI=1S/C10H18N4O2/c1-4-12-10(15)9-13-8(16-14-9)6-11-5-7(2)3/h7,11H,4-6H2,1-3H3,(H,12,15)
InChIKeyBBRXNKYXKFRBIF-UHFFFAOYSA-N
XLogP0.56
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-ethyl-5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxylate
CID 112631734
5-[2-(aminomethyl)butyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791278
5-(3-cyano-2-methylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 106527914
5-[(1-aminocyclopentyl)methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791146
5-(1-amino-2,2-dimethylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791174
5-[2-(4-aminophenyl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791281
5-(1-amino-3-methylbutan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791100
N-ethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102791360
5-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791111
2-methyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 63065067
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 64539019
5-(2-amino-1-hydroxyethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791226

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-ethyl-5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxamide (CID 102791394) is N-ethyl-5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxamide is CCNC(=O)c1noc(CNCC(C)C)n1.
What is the InChIKey of N-ethyl-5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is BBRXNKYXKFRBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-4-12-10(15)9-13-8(16-14-9)6-11-5-7(2)3/h7,11H,4-6H2,1-3H3,(H,12,15).
What are the key properties of N-ethyl-5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxamide?
N-ethyl-5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102791394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).