3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole

C15H14N4O — CID 71924876

IUPAC3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(C3(c4ccccc4)CC3)n2)cn1
InChIInChI=1S/C15H14N4O/c1-19-10-11(9-16-19)13-17-14(20-18-13)15(7-8-15)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyJPHRAFJXFJFXJX-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.55
Rot. Bonds3

About 3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole

3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole (PubChem CID 71924876) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole
PubChem CID71924876
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(C3(c4ccccc4)CC3)n2)cn1
InChIInChI=1S/C15H14N4O/c1-19-10-11(9-16-19)13-17-14(20-18-13)15(7-8-15)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyJPHRAFJXFJFXJX-UHFFFAOYSA-N
XLogP2.55
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline
CID 115914049
5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 71980373
[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 113311262
3-(5-methylpyrimidin-2-yl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole
CID 100692250
5-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide
CID 154741779
(S)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832487
(R)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832490
2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65196544
2-ethyl-5-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53141127
1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62879541
5-(1-phenylcyclobutyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 71859061
2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 65196493

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole (CID 71924876) is 3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole is Cn1cc(-c2noc(C3(c4ccccc4)CC3)n2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole?
The InChIKey is JPHRAFJXFJFXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19-10-11(9-16-19)13-17-14(20-18-13)15(7-8-15)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole?
3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole has a molecular weight of 266.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71924876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).