[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methanamine

C10H13N5O — CID 62222657

IUPAC[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methanamine
SMILESNCc1nccn1Cc1noc(C2CC2)n1
InChIInChI=1S/C10H13N5O/c11-5-9-12-3-4-15(9)6-8-13-10(16-14-8)7-1-2-7/h3-4,7H,1-2,5-6,11H2
InChIKeyZMLUDAIKKGDLEE-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.65
Rot. Bonds4

About [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methanamine

[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methanamine (PubChem CID 62222657) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methanamine
PubChem CID62222657
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methanamine
SMILESNCc1nccn1Cc1noc(C2CC2)n1
InChIInChI=1S/C10H13N5O/c11-5-9-12-3-4-15(9)6-8-13-10(16-14-8)7-1-2-7/h3-4,7H,1-2,5-6,11H2
InChIKeyZMLUDAIKKGDLEE-UHFFFAOYSA-N
XLogP0.65
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methanamine?
The IUPAC name of [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methanamine (CID 62222657) is [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methanamine.
What is the SMILES notation for [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methanamine?
The canonical SMILES for [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methanamine is NCc1nccn1Cc1noc(C2CC2)n1.
What is the InChIKey of [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methanamine?
The InChIKey is ZMLUDAIKKGDLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c11-5-9-12-3-4-15(9)6-8-13-10(16-14-8)7-1-2-7/h3-4,7H,1-2,5-6,11H2.
What are the key properties of [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methanamine?
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methanamine has a molecular weight of 219.25 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methanamine is sourced from PubChem (CID 62222657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).