3-(3,4-dihydro-2H-quinolin-1-yl)-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole

C16H17N5O — CID 170163111

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCCn1ccc(-c2nc(N3CCCc4ccccc43)no2)n1
InChIInChI=1S/C16H17N5O/c1-2-20-11-9-13(18-20)15-17-16(19-22-15)21-10-5-7-12-6-3-4-8-14(12)21/h3-4,6,8-9,11H,2,5,7,10H2,1H3
InChIKeyVGNQYSQSECEIDR-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.04
Rot. Bonds3

About 3-(3,4-dihydro-2H-quinolin-1-yl)-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole

3-(3,4-dihydro-2H-quinolin-1-yl)-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 170163111) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID170163111
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCCn1ccc(-c2nc(N3CCCc4ccccc43)no2)n1
InChIInChI=1S/C16H17N5O/c1-2-20-11-9-13(18-20)15-17-16(19-22-15)21-10-5-7-12-6-3-4-8-14(12)21/h3-4,6,8-9,11H,2,5,7,10H2,1H3
InChIKeyVGNQYSQSECEIDR-UHFFFAOYSA-N
XLogP3.04
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole (CID 170163111) is 3-(3,4-dihydro-2H-quinolin-1-yl)-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole is CCn1ccc(-c2nc(N3CCCc4ccccc43)no2)n1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is VGNQYSQSECEIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-2-20-11-9-13(18-20)15-17-16(19-22-15)21-10-5-7-12-6-3-4-8-14(12)21/h3-4,6,8-9,11H,2,5,7,10H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole?
3-(3,4-dihydro-2H-quinolin-1-yl)-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 295.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 170163111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).