2-propan-2-yl-5-[(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-oxadiazole

C18H21N5O — CID 71988705

IUPAC2-propan-2-yl-5-[(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CN2CC(n3cccn3)Cc3ccccc32)o1
InChIInChI=1S/C18H21N5O/c1-13(2)18-21-20-17(24-18)12-22-11-15(23-9-5-8-19-23)10-14-6-3-4-7-16(14)22/h3-9,13,15H,10-12H2,1-2H3
InChIKeyAQINVFZXLGYUSY-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.19
Rot. Bonds4

About 2-propan-2-yl-5-[(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-oxadiazole

2-propan-2-yl-5-[(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 71988705) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-propan-2-yl-5-[(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-[(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID71988705
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-propan-2-yl-5-[(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CN2CC(n3cccn3)Cc3ccccc32)o1
InChIInChI=1S/C18H21N5O/c1-13(2)18-21-20-17(24-18)12-22-11-15(23-9-5-8-19-23)10-14-6-3-4-7-16(14)22/h3-9,13,15H,10-12H2,1-2H3
InChIKeyAQINVFZXLGYUSY-UHFFFAOYSA-N
XLogP3.19
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-[(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-propan-2-yl-5-[(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-oxadiazole (CID 71988705) is 2-propan-2-yl-5-[(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-propan-2-yl-5-[(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-propan-2-yl-5-[(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-oxadiazole is CC(C)c1nnc(CN2CC(n3cccn3)Cc3ccccc32)o1.
What is the InChIKey of 2-propan-2-yl-5-[(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is AQINVFZXLGYUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13(2)18-21-20-17(24-18)12-22-11-15(23-9-5-8-19-23)10-14-6-3-4-7-16(14)22/h3-9,13,15H,10-12H2,1-2H3.
What are the key properties of 2-propan-2-yl-5-[(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-oxadiazole?
2-propan-2-yl-5-[(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 323.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-[(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 71988705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).