2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol

C14H15N5O2 — CID 65196493

IUPAC2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
SMILESCn1cc(-c2noc(-c3ccc(NCCO)cc3)n2)cn1
InChIInChI=1S/C14H15N5O2/c1-19-9-11(8-16-19)13-17-14(21-18-13)10-2-4-12(5-3-10)15-6-7-20/h2-5,8-9,15,20H,6-7H2,1H3
InChIKeyAKLXHONTBHWSOQ-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.54
Rot. Bonds5

About 2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol

2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol (PubChem CID 65196493) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol.

Molecular Properties

Compound Name2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
PubChem CID65196493
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
SMILESCn1cc(-c2noc(-c3ccc(NCCO)cc3)n2)cn1
InChIInChI=1S/C14H15N5O2/c1-19-9-11(8-16-19)13-17-14(21-18-13)10-2-4-12(5-3-10)15-6-7-20/h2-5,8-9,15,20H,6-7H2,1H3
InChIKeyAKLXHONTBHWSOQ-UHFFFAOYSA-N
XLogP1.54
TPSA89.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol?
The IUPAC name of 2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol (CID 65196493) is 2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol.
What is the SMILES notation for 2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol?
The canonical SMILES for 2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol is Cn1cc(-c2noc(-c3ccc(NCCO)cc3)n2)cn1.
What is the InChIKey of 2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol?
The InChIKey is AKLXHONTBHWSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-19-9-11(8-16-19)13-17-14(21-18-13)10-2-4-12(5-3-10)15-6-7-20/h2-5,8-9,15,20H,6-7H2,1H3.
What are the key properties of 2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol?
2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol has a molecular weight of 285.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol is sourced from PubChem (CID 65196493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).