N-[(1-ethylimidazol-2-yl)methyl]-1-(1,2,4-oxadiazol-3-yl)methanamine

C9H13N5O — CID 106393163

IUPACN-[(1-ethylimidazol-2-yl)methyl]-1-(1,2,4-oxadiazol-3-yl)methanamine
SMILESCCn1ccnc1CNCc1ncon1
InChIInChI=1S/C9H13N5O/c1-2-14-4-3-11-9(14)6-10-5-8-12-7-15-13-8/h3-4,7,10H,2,5-6H2,1H3
InChIKeySCLGEDQXXOVKNY-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.58
Rot. Bonds5

About N-[(1-ethylimidazol-2-yl)methyl]-1-(1,2,4-oxadiazol-3-yl)methanamine

N-[(1-ethylimidazol-2-yl)methyl]-1-(1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 106393163) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-1-(1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-1-(1,2,4-oxadiazol-3-yl)methanamine
PubChem CID106393163
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-1-(1,2,4-oxadiazol-3-yl)methanamine
SMILESCCn1ccnc1CNCc1ncon1
InChIInChI=1S/C9H13N5O/c1-2-14-4-3-11-9(14)6-10-5-8-12-7-15-13-8/h3-4,7,10H,2,5-6H2,1H3
InChIKeySCLGEDQXXOVKNY-UHFFFAOYSA-N
XLogP0.58
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 62355684
N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine
CID 106398647
N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 115405976
1-(5-bromothiophen-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]methanamine
CID 62350136
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106834150
1-cyclopenta-1,4-dien-1-yl-N-[(1-ethylimidazol-2-yl)methyl]methanamine
CID 91928165
2-[(1-ethylimidazol-2-yl)methyl]-1,1-dimethylhydrazine
CID 83003999
N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine
CID 62357739
N-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine
CID 116642955
1-[(1-ethylimidazol-2-yl)methylamino]-3-methylbutan-2-ol
CID 115641698
N-(1,3-benzothiazol-2-ylmethyl)-1-(1-ethylimidazol-2-yl)methanamine
CID 62357906

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-1-(1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-1-(1,2,4-oxadiazol-3-yl)methanamine (CID 106393163) is N-[(1-ethylimidazol-2-yl)methyl]-1-(1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-1-(1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-1-(1,2,4-oxadiazol-3-yl)methanamine is CCn1ccnc1CNCc1ncon1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-1-(1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is SCLGEDQXXOVKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-2-14-4-3-11-9(14)6-10-5-8-12-7-15-13-8/h3-4,7,10H,2,5-6H2,1H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-1-(1,2,4-oxadiazol-3-yl)methanamine?
N-[(1-ethylimidazol-2-yl)methyl]-1-(1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 207.24 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-1-(1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 106393163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).