4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C11H14N4O2 — CID 65095158

IUPAC4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCOCCCc1noc(-c2ccnc(N)c2)n1
InChIInChI=1S/C11H14N4O2/c1-16-6-2-3-10-14-11(17-15-10)8-4-5-13-9(12)7-8/h4-5,7H,2-3,6H2,1H3,(H2,12,13)
InChIKeyFHJVCKPRZBHQFO-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.29
Rot. Bonds5

About 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 65095158) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID65095158
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCOCCCc1noc(-c2ccnc(N)c2)n1
InChIInChI=1S/C11H14N4O2/c1-16-6-2-3-10-14-11(17-15-10)8-4-5-13-9(12)7-8/h4-5,7H,2-3,6H2,1H3,(H2,12,13)
InChIKeyFHJVCKPRZBHQFO-UHFFFAOYSA-N
XLogP1.29
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 113291100
2-chloro-4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65094389
2-chloro-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65094898
4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 79078348
5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 65094056
2-methoxy-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 79732855
4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 66064570
4-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 65136886
4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 61412594
3-chloro-4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65094637
5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 102926540
4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 66067859

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 65095158) is 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is COCCCc1noc(-c2ccnc(N)c2)n1.
What is the InChIKey of 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is FHJVCKPRZBHQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-16-6-2-3-10-14-11(17-15-10)8-4-5-13-9(12)7-8/h4-5,7H,2-3,6H2,1H3,(H2,12,13).
What are the key properties of 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 234.26 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 65095158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).