3-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine

C11H14N4O2 — CID 105064429

IUPAC3-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCOc1cnccc1-c1nnc(CCCN)o1
InChIInChI=1S/C11H14N4O2/c1-16-9-7-13-6-4-8(9)11-15-14-10(17-11)3-2-5-12/h4,6-7H,2-3,5,12H2,1H3
InChIKeyCEKONYUQKBDRSE-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.03
Rot. Bonds5

About 3-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine

3-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 105064429) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID105064429
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name3-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCOc1cnccc1-c1nnc(CCCN)o1
InChIInChI=1S/C11H14N4O2/c1-16-9-7-13-6-4-8(9)11-15-14-10(17-11)3-2-5-12/h4,6-7H,2-3,5,12H2,1H3
InChIKeyCEKONYUQKBDRSE-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 64955725
N-[2-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 105064451
5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 105064288
2-(3-chloropropyl)-5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole
CID 64950082
2-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069714
3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62070769
3-[5-(4-methoxy-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62072142
2-(2-chloroethyl)-5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazole
CID 130516109
3-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline
CID 113452620
[5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55034671
2-(2-chloroethyl)-5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazole
CID 66463788
[5-(2,3,4-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62070228

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 105064429) is 3-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is COc1cnccc1-c1nnc(CCCN)o1.
What is the InChIKey of 3-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is CEKONYUQKBDRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-16-9-7-13-6-4-8(9)11-15-14-10(17-11)3-2-5-12/h4,6-7H,2-3,5,12H2,1H3.
What are the key properties of 3-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
3-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 234.26 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 105064429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).