3-(6-methoxy-3-pyridinyl)-5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazole

C14H15N5O2 — CID 71978818

IUPAC3-(6-methoxy-3-pyridinyl)-5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3ccn(C(C)C)n3)n2)cn1
InChIInChI=1S/C14H15N5O2/c1-9(2)19-7-6-11(17-19)14-16-13(18-21-14)10-4-5-12(20-3)15-8-10/h4-9H,1-3H3
InChIKeyPAGCLZQBUBLLJX-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.58
Rot. Bonds4

About 3-(6-methoxy-3-pyridinyl)-5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazole

3-(6-methoxy-3-pyridinyl)-5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 71978818) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID71978818
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name3-(6-methoxy-3-pyridinyl)-5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3ccn(C(C)C)n3)n2)cn1
InChIInChI=1S/C14H15N5O2/c1-9(2)19-7-6-11(17-19)14-16-13(18-21-14)10-4-5-12(20-3)15-8-10/h4-9H,1-3H3
InChIKeyPAGCLZQBUBLLJX-UHFFFAOYSA-N
XLogP2.58
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 119948388
1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855462
1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120855463
5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 120841006
3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 119948377
4-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]oxane-4-carbonitrile
CID 99151345
3-methoxy-6-(6-methoxy-3-pyridinyl)pyridazine
CID 24851547
2-methoxy-5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridine
CID 157019727
3-(6-methoxy-3-pyridinyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120840977
3-(6-methoxy-3-pyridinyl)-5-[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1,2,4-oxadiazole
CID 99838236
(2S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylpropanamide
CID 100759002
5-[(3-bromophenyl)-pyrrolidin-1-ylmethyl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 119036250

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazole (CID 71978818) is 3-(6-methoxy-3-pyridinyl)-5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazole is COc1ccc(-c2noc(-c3ccn(C(C)C)n3)n2)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is PAGCLZQBUBLLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-9(2)19-7-6-11(17-19)14-16-13(18-21-14)10-4-5-12(20-3)15-8-10/h4-9H,1-3H3.
What are the key properties of 3-(6-methoxy-3-pyridinyl)-5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazole?
3-(6-methoxy-3-pyridinyl)-5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 285.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 71978818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).