5-[1-(2-aminoethyl)imidazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

C11H14N6O2 — CID 107496461

IUPAC5-[1-(2-aminoethyl)imidazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESNCCn1cnc(-c2nc(C(=O)NC3CC3)no2)c1
InChIInChI=1S/C11H14N6O2/c12-3-4-17-5-8(13-6-17)11-15-9(16-19-11)10(18)14-7-1-2-7/h5-7H,1-4,12H2,(H,14,18)
InChIKeyRYXPMXSJVZAZLT-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.22
Rot. Bonds5

About 5-[1-(2-aminoethyl)imidazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

5-[1-(2-aminoethyl)imidazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 107496461) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-[1-(2-aminoethyl)imidazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(2-aminoethyl)imidazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID107496461
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name5-[1-(2-aminoethyl)imidazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESNCCn1cnc(-c2nc(C(=O)NC3CC3)no2)c1
InChIInChI=1S/C11H14N6O2/c12-3-4-17-5-8(13-6-17)11-15-9(16-19-11)10(18)14-7-1-2-7/h5-7H,1-4,12H2,(H,14,18)
InChIKeyRYXPMXSJVZAZLT-UHFFFAOYSA-N
XLogP-0.22
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 107497522
5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 107496445
2-[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine
CID 107496449
4-[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888881
2-[4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496065
N-cycloheptyl-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide
CID 4175475
2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496109
5-(2-amino-5-fluorophenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790749
4-[[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 107496062
2-[4-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496230
2-[4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496326
5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790929

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-aminoethyl)imidazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[1-(2-aminoethyl)imidazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (CID 107496461) is 5-[1-(2-aminoethyl)imidazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[1-(2-aminoethyl)imidazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[1-(2-aminoethyl)imidazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is NCCn1cnc(-c2nc(C(=O)NC3CC3)no2)c1.
What is the InChIKey of 5-[1-(2-aminoethyl)imidazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is RYXPMXSJVZAZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c12-3-4-17-5-8(13-6-17)11-15-9(16-19-11)10(18)14-7-1-2-7/h5-7H,1-4,12H2,(H,14,18).
What are the key properties of 5-[1-(2-aminoethyl)imidazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
5-[1-(2-aminoethyl)imidazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 262.27 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-aminoethyl)imidazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 107496461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).