2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-(4-methoxyphenyl)-1,3-oxazole

C20H26N2O2 — CID 71885006

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2cnc(CN3CCCC4CCCCC43)o2)cc1
InChIInChI=1S/C20H26N2O2/c1-23-17-10-8-16(9-11-17)19-13-21-20(24-19)14-22-12-4-6-15-5-2-3-7-18(15)22/h8-11,13,15,18H,2-7,12,14H2,1H3
InChIKeyHULCOLKOTPWQNK-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.50
Rot. Bonds4

About 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-(4-methoxyphenyl)-1,3-oxazole

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-(4-methoxyphenyl)-1,3-oxazole (PubChem CID 71885006) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-(4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-(4-methoxyphenyl)-1,3-oxazole
PubChem CID71885006
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2cnc(CN3CCCC4CCCCC43)o2)cc1
InChIInChI=1S/C20H26N2O2/c1-23-17-10-8-16(9-11-17)19-13-21-20(24-19)14-22-12-4-6-15-5-2-3-7-18(15)22/h8-11,13,15,18H,2-7,12,14H2,1H3
InChIKeyHULCOLKOTPWQNK-UHFFFAOYSA-N
XLogP4.50
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-(4-methoxyphenyl)-1,3-oxazole with MolForge

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Related Compounds

2-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 56502007
5-(4-methoxyphenyl)-2-[[4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,3-oxazole
CID 166197592
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol
CID 48631711
2-[(2,4-dimethylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 71877632
(3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
CID 111123250
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907230
2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole
CID 75790350
2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 86959173
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 48632204
N-cyclopropyl-2-[4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 48631825
[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine
CID 82360062
5-(4-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 120870308

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-(4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-(4-methoxyphenyl)-1,3-oxazole (CID 71885006) is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-(4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-(4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-(4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2cnc(CN3CCCC4CCCCC43)o2)cc1.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-(4-methoxyphenyl)-1,3-oxazole?
The InChIKey is HULCOLKOTPWQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-23-17-10-8-16(9-11-17)19-13-21-20(24-19)14-22-12-4-6-15-5-2-3-7-18(15)22/h8-11,13,15,18H,2-7,12,14H2,1H3.
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-(4-methoxyphenyl)-1,3-oxazole?
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-(4-methoxyphenyl)-1,3-oxazole has a molecular weight of 326.44 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-(4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 71885006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).