[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine

C7H9N5O — CID 82668626

IUPAC[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCn1cncc1-c1nnc(CN)o1
InChIInChI=1S/C7H9N5O/c1-12-4-9-3-5(12)7-11-10-6(2-8)13-7/h3-4H,2,8H2,1H3
InChIKeyXXXVBJWYDMCMLI-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.07
Rot. Bonds2

About [5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 82668626) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is [5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID82668626
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCn1cncc1-c1nnc(CN)o1
InChIInChI=1S/C7H9N5O/c1-12-4-9-3-5(12)7-11-10-6(2-8)13-7/h3-4H,2,8H2,1H3
InChIKeyXXXVBJWYDMCMLI-UHFFFAOYSA-N
XLogP-0.07
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82669849
[2-(3-methylimidazol-4-yl)pyrimidin-5-yl]methanamine
CID 82902374
2-[4-[[3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanol
CID 75131741
[5-(2,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82471864
2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole
CID 75615615
2-(3-methylimidazol-4-yl)-5-[[2-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole
CID 75131779
[2-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 82895451
2-(1-cyclohexylpyrrolidin-3-yl)-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole
CID 75615616
[5-(3-methylimidazol-4-yl)furan-2-yl]methanol
CID 126971966
5-bromo-2-(3-methylimidazol-4-yl)-1,3-benzoxazol-7-amine
CID 103511061
2-methyl-1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 103511946
N-[[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 103511959

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine (CID 82668626) is [5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine is Cn1cncc1-c1nnc(CN)o1.
What is the InChIKey of [5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is XXXVBJWYDMCMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-12-4-9-3-5(12)7-11-10-6(2-8)13-7/h3-4H,2,8H2,1H3.
What are the key properties of [5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 179.18 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 82668626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).