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

C11H10N4O — CID 79273565

IUPACN-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine
SMILESC#CCNCc1nc(-c2ccccn2)no1
InChIInChI=1S/C11H10N4O/c1-2-6-12-8-10-14-11(15-16-10)9-5-3-4-7-13-9/h1,3-5,7,12H,6,8H2
InChIKeyDCKLLYWPDSSUGX-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.85
Rot. Bonds4

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

N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine (PubChem CID 79273565) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine
PubChem CID79273565
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC NameN-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine
SMILESC#CCNCc1nc(-c2ccccn2)no1
InChIInChI=1S/C11H10N4O/c1-2-6-12-8-10-14-11(15-16-10)9-5-3-4-7-13-9/h1,3-5,7,12H,6,8H2
InChIKeyDCKLLYWPDSSUGX-UHFFFAOYSA-N
XLogP0.85
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60837872
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
1-(4-methylmorpholin-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 167846857
5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 154530032
N-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 79786155
4-[5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136938573
1-cyclopropyl-N-methyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 63347146
5-(phenoxymethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 880364
2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 75423305
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345489
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 78912899

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine?
The IUPAC name of N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine (CID 79273565) is N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine?
The canonical SMILES for N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine is C#CCNCc1nc(-c2ccccn2)no1.
What is the InChIKey of N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine?
The InChIKey is DCKLLYWPDSSUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-2-6-12-8-10-14-11(15-16-10)9-5-3-4-7-13-9/h1,3-5,7,12H,6,8H2.
What are the key properties of N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine?
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine has a molecular weight of 214.23 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine is sourced from PubChem (CID 79273565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).