N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine

C7H11N3O — CID 60720783

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1nc(C)no1
InChIInChI=1S/C7H11N3O/c1-3-4-8-5-7-9-6(2)10-11-7/h3,8H,1,4-5H2,2H3
InChIKeyHOLZMLFWZRQLNB-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.65
Rot. Bonds4

About N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine (PubChem CID 60720783) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine
PubChem CID60720783
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1nc(C)no1
InChIInChI=1S/C7H11N3O/c1-3-4-8-5-7-9-6(2)10-11-7/h3,8H,1,4-5H2,2H3
InChIKeyHOLZMLFWZRQLNB-UHFFFAOYSA-N
XLogP0.65
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine (CID 60720783) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine is C=CCNCc1nc(C)no1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine?
The InChIKey is HOLZMLFWZRQLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-3-4-8-5-7-9-6(2)10-11-7/h3,8H,1,4-5H2,2H3.
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine has a molecular weight of 153.18 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 60720783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).