4-[2-[(2-butyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole

C25H30N2O2 — CID 150987336

IUPAC4-[2-[(2-butyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
SMILESCCCCN1CCc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2C1
InChIInChI=1S/C25H30N2O2/c1-3-4-14-27-15-12-20-10-11-23(17-22(20)18-27)28-16-13-24-19(2)29-25(26-24)21-8-6-5-7-9-21/h5-11,17H,3-4,12-16,18H2,1-2H3
InChIKeyLRIZLALKQNHQTN-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.43
Rot. Bonds8

About 4-[2-[(2-butyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole

4-[2-[(2-butyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole (PubChem CID 150987336) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-[2-[(2-butyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[2-[(2-butyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
PubChem CID150987336
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name4-[2-[(2-butyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
SMILESCCCCN1CCc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2C1
InChIInChI=1S/C25H30N2O2/c1-3-4-14-27-15-12-20-10-11-23(17-22(20)18-27)28-16-13-24-19(2)29-25(26-24)21-8-6-5-7-9-21/h5-11,17H,3-4,12-16,18H2,1-2H3
InChIKeyLRIZLALKQNHQTN-UHFFFAOYSA-N
XLogP5.43
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(2-butyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

2-hexyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 18505186
(3S)-2-methyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 10111117
2-benzoyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 18505234
5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole
CID 23402836
2-(2,2-dimethylpropyl)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid;sulfuric acid
CID 70024856
ethyl 2-(2,2-dimethylpropyl)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylate;hydrochloride
CID 70023414
(3S)-3-ethyl-2-methyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 21134026
7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pent-4-enoyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 18505204
methyl 7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-nitroso-3,4-dihydro-1H-isoquinoline-1-carboxylate
CID 87971455
1-[(3R)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromen-3-yl]ethanone
CID 59832108
ethyl 2-[2-butyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]acetate
CID 69312031
3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]propanoic acid
CID 10249871

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-butyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[2-[(2-butyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole (CID 150987336) is 4-[2-[(2-butyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[2-[(2-butyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[2-[(2-butyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole is CCCCN1CCc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2C1.
What is the InChIKey of 4-[2-[(2-butyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole?
The InChIKey is LRIZLALKQNHQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-3-4-14-27-15-12-20-10-11-23(17-22(20)18-27)28-16-13-24-19(2)29-25(26-24)21-8-6-5-7-9-21/h5-11,17H,3-4,12-16,18H2,1-2H3.
What are the key properties of 4-[2-[(2-butyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole?
4-[2-[(2-butyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole has a molecular weight of 390.53 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-butyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole is sourced from PubChem (CID 150987336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).