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

C15H14N4O2 — CID 62873983

IUPAC[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine
SMILESCOc1ncccc1-c1nnc(C(N)c2ccccc2)o1
InChIInChI=1S/C15H14N4O2/c1-20-13-11(8-5-9-17-13)14-18-19-15(21-14)12(16)10-6-3-2-4-7-10/h2-9,12H,16H2,1H3
InChIKeyBFIGKVXMSNWLPG-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.19
Rot. Bonds4

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

[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine (PubChem CID 62873983) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is [5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine.

Molecular Properties

Compound Name[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine
PubChem CID62873983
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine
SMILESCOc1ncccc1-c1nnc(C(N)c2ccccc2)o1
InChIInChI=1S/C15H14N4O2/c1-20-13-11(8-5-9-17-13)14-18-19-15(21-14)12(16)10-6-3-2-4-7-10/h2-9,12H,16H2,1H3
InChIKeyBFIGKVXMSNWLPG-UHFFFAOYSA-N
XLogP2.19
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(2,5-dibromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine
CID 107965582
2-(2-methoxy-3-pyridinyl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 99962939
[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine
CID 114822833
phenyl-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55143116
(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethanamine
CID 67245959
cyclopropyl-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 62874824
N-ethyl-3-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62874487
2-methoxy-3-pyridin-2-ylpyridine
CID 90702321
2-(difluoromethyl)-5-[4-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722629
(1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 42046774
phenyl-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62071471
2-(2-methoxy-3-pyridinyl)-1,3-oxazole-4-carboxylic acid
CID 118224484

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine?
The IUPAC name of [5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine (CID 62873983) is [5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine.
What is the SMILES notation for [5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine?
The canonical SMILES for [5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine is COc1ncccc1-c1nnc(C(N)c2ccccc2)o1.
What is the InChIKey of [5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine?
The InChIKey is BFIGKVXMSNWLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-20-13-11(8-5-9-17-13)14-18-19-15(21-14)12(16)10-6-3-2-4-7-10/h2-9,12H,16H2,1H3.
What are the key properties of [5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine?
[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine has a molecular weight of 282.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine is sourced from PubChem (CID 62873983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).