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

C7H11N3O — CID 105429886

IUPAC[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCC1(c2nnc(CN)o2)CC1
InChIInChI=1S/C7H11N3O/c1-7(2-3-7)6-10-9-5(4-8)11-6/h2-4,8H2,1H3
InChIKeyDWGFERYNBVTEPK-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.58
Rot. Bonds2

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

[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 105429886) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is [5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID105429886
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCC1(c2nnc(CN)o2)CC1
InChIInChI=1S/C7H11N3O/c1-7(2-3-7)6-10-9-5(4-8)11-6/h2-4,8H2,1H3
InChIKeyDWGFERYNBVTEPK-UHFFFAOYSA-N
XLogP0.58
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(1-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 115013269
2-[5-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 115027380
2-bromo-5-(1-methylcyclopropyl)-1,3,4-oxadiazole
CID 115022759
3-[5-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 115027387
N-[[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106828822
3-[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 106828244
2-(1-methylcyclobutyl)-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
CID 115040962
[5-(4-methyloxan-4-yl)-1,3-oxazol-2-yl]methanamine
CID 115020665
5-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962960
5-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106963483
2-(chloromethyl)-5-(2-methylthiolan-2-yl)-1,3,4-oxadiazole
CID 81452666
[4-ethyl-2-(1-methylcyclopropyl)-1,3-thiazol-5-yl]methanamine
CID 104840968

Frequently Asked Questions

What is the IUPAC name of [5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 105429886) is [5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]methanamine is CC1(c2nnc(CN)o2)CC1.
What is the InChIKey of [5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is DWGFERYNBVTEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-7(2-3-7)6-10-9-5(4-8)11-6/h2-4,8H2,1H3.
What are the key properties of [5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 153.18 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 105429886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).