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

C12H15N5O2 — CID 122565717

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide
SMILESCc1ncn(C)c1C(=O)NCc1noc(C2CC2)n1
InChIInChI=1S/C12H15N5O2/c1-7-10(17(2)6-14-7)11(18)13-5-9-15-12(19-16-9)8-3-4-8/h6,8H,3-5H2,1-2H3,(H,13,18)
InChIKeyIFXYPUSHVGBUST-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.92
Rot. Bonds4

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

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide (PubChem CID 122565717) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide
PubChem CID122565717
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide
SMILESCc1ncn(C)c1C(=O)NCc1noc(C2CC2)n1
InChIInChI=1S/C12H15N5O2/c1-7-10(17(2)6-14-7)11(18)13-5-9-15-12(19-16-9)8-3-4-8/h6,8H,3-5H2,1-2H3,(H,13,18)
InChIKeyIFXYPUSHVGBUST-UHFFFAOYSA-N
XLogP0.92
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide (CID 122565717) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide is Cc1ncn(C)c1C(=O)NCc1noc(C2CC2)n1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide?
The InChIKey is IFXYPUSHVGBUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7-10(17(2)6-14-7)11(18)13-5-9-15-12(19-16-9)8-3-4-8/h6,8H,3-5H2,1-2H3,(H,13,18).
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 122565717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).