5-pentyl-3-[1-[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-5-yl)ethynyl]cyclopropyl]-1,2-oxazole

C25H32N2O — CID 167271055

IUPAC5-pentyl-3-[1-[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-5-yl)ethynyl]cyclopropyl]-1,2-oxazole
SMILESCCCCCc1cc(C2(C#Cc3cccc4c3CCCN4C(C)C)CC2)no1
InChIInChI=1S/C25H32N2O/c1-4-5-6-10-21-18-24(26-28-21)25(15-16-25)14-13-20-9-7-12-23-22(20)11-8-17-27(23)19(2)3/h7,9,12,18-19H,4-6,8,10-11,15-17H2,1-3H3
InChIKeyAKQXSYOWUOCGJL-UHFFFAOYSA-N
MW376.54 g/mol
LogP5.65
Rot. Bonds6

About 5-pentyl-3-[1-[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-5-yl)ethynyl]cyclopropyl]-1,2-oxazole

5-pentyl-3-[1-[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-5-yl)ethynyl]cyclopropyl]-1,2-oxazole (PubChem CID 167271055) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is 5-pentyl-3-[1-[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-5-yl)ethynyl]cyclopropyl]-1,2-oxazole.

Molecular Properties

Compound Name5-pentyl-3-[1-[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-5-yl)ethynyl]cyclopropyl]-1,2-oxazole
PubChem CID167271055
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Name5-pentyl-3-[1-[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-5-yl)ethynyl]cyclopropyl]-1,2-oxazole
SMILESCCCCCc1cc(C2(C#Cc3cccc4c3CCCN4C(C)C)CC2)no1
InChIInChI=1S/C25H32N2O/c1-4-5-6-10-21-18-24(26-28-21)25(15-16-25)14-13-20-9-7-12-23-22(20)11-8-17-27(23)19(2)3/h7,9,12,18-19H,4-6,8,10-11,15-17H2,1-3H3
InChIKeyAKQXSYOWUOCGJL-UHFFFAOYSA-N
XLogP5.65
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-pentyl-3-[1-[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-5-yl)ethynyl]cyclopropyl]-1,2-oxazole?
The IUPAC name of 5-pentyl-3-[1-[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-5-yl)ethynyl]cyclopropyl]-1,2-oxazole (CID 167271055) is 5-pentyl-3-[1-[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-5-yl)ethynyl]cyclopropyl]-1,2-oxazole.
What is the SMILES notation for 5-pentyl-3-[1-[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-5-yl)ethynyl]cyclopropyl]-1,2-oxazole?
The canonical SMILES for 5-pentyl-3-[1-[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-5-yl)ethynyl]cyclopropyl]-1,2-oxazole is CCCCCc1cc(C2(C#Cc3cccc4c3CCCN4C(C)C)CC2)no1.
What is the InChIKey of 5-pentyl-3-[1-[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-5-yl)ethynyl]cyclopropyl]-1,2-oxazole?
The InChIKey is AKQXSYOWUOCGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O/c1-4-5-6-10-21-18-24(26-28-21)25(15-16-25)14-13-20-9-7-12-23-22(20)11-8-17-27(23)19(2)3/h7,9,12,18-19H,4-6,8,10-11,15-17H2,1-3H3.
What are the key properties of 5-pentyl-3-[1-[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-5-yl)ethynyl]cyclopropyl]-1,2-oxazole?
5-pentyl-3-[1-[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-5-yl)ethynyl]cyclopropyl]-1,2-oxazole has a molecular weight of 376.54 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-3-[1-[2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-5-yl)ethynyl]cyclopropyl]-1,2-oxazole is sourced from PubChem (CID 167271055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).