6-fluoro-3-[3-(1,2,3,4-tetrahydroquinolin-2-yl)propyl]-1,2-benzoxazole

C19H19FN2O — CID 70409797

IUPAC6-fluoro-3-[3-(1,2,3,4-tetrahydroquinolin-2-yl)propyl]-1,2-benzoxazole
SMILESFc1ccc2c(CCCC3CCc4ccccc4N3)noc2c1
InChIInChI=1S/C19H19FN2O/c20-14-9-11-16-18(22-23-19(16)12-14)7-3-5-15-10-8-13-4-1-2-6-17(13)21-15/h1-2,4,6,9,11-12,15,21H,3,5,7-8,10H2
InChIKeyYFDQLSDOIBNGPH-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.72
Rot. Bonds4

About 6-fluoro-3-[3-(1,2,3,4-tetrahydroquinolin-2-yl)propyl]-1,2-benzoxazole

6-fluoro-3-[3-(1,2,3,4-tetrahydroquinolin-2-yl)propyl]-1,2-benzoxazole (PubChem CID 70409797) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 6-fluoro-3-[3-(1,2,3,4-tetrahydroquinolin-2-yl)propyl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[3-(1,2,3,4-tetrahydroquinolin-2-yl)propyl]-1,2-benzoxazole
PubChem CID70409797
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name6-fluoro-3-[3-(1,2,3,4-tetrahydroquinolin-2-yl)propyl]-1,2-benzoxazole
SMILESFc1ccc2c(CCCC3CCc4ccccc4N3)noc2c1
InChIInChI=1S/C19H19FN2O/c20-14-9-11-16-18(22-23-19(16)12-14)7-3-5-15-10-8-13-4-1-2-6-17(13)21-15/h1-2,4,6,9,11-12,15,21H,3,5,7-8,10H2
InChIKeyYFDQLSDOIBNGPH-UHFFFAOYSA-N
XLogP4.72
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64955508
(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline
CID 15606332
3-[3-(azepan-1-yl)propyl]-6-fluoro-1,2-benzoxazole
CID 13319879
N-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-1-amine
CID 13319887
3-[3-[(3R,4S)-4-(4-bromophenoxy)-3-phenylpiperidin-1-yl]propyl]-6-fluoro-1,2-benzoxazole
CID 70532414
2-[[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperidin-4-yl]methyl]-1,3-dihydroisoindol-1-ol;hydrochloride
CID 174444404
2-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroquinoline
CID 106779766
(6-fluoro-1,2-benzoxazol-3-yl)methanamine;hydrochloride
CID 126797029
6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole
CID 171996239
2-[[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperidin-4-yl]methyl]-3H-isoindol-1-one;hydrochloride
CID 21078206
8-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 13319889
2-(iodomethyl)-1,2,3,4-tetrahydroquinoline
CID 11778039

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[3-(1,2,3,4-tetrahydroquinolin-2-yl)propyl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[3-(1,2,3,4-tetrahydroquinolin-2-yl)propyl]-1,2-benzoxazole (CID 70409797) is 6-fluoro-3-[3-(1,2,3,4-tetrahydroquinolin-2-yl)propyl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[3-(1,2,3,4-tetrahydroquinolin-2-yl)propyl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[3-(1,2,3,4-tetrahydroquinolin-2-yl)propyl]-1,2-benzoxazole is Fc1ccc2c(CCCC3CCc4ccccc4N3)noc2c1.
What is the InChIKey of 6-fluoro-3-[3-(1,2,3,4-tetrahydroquinolin-2-yl)propyl]-1,2-benzoxazole?
The InChIKey is YFDQLSDOIBNGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c20-14-9-11-16-18(22-23-19(16)12-14)7-3-5-15-10-8-13-4-1-2-6-17(13)21-15/h1-2,4,6,9,11-12,15,21H,3,5,7-8,10H2.
What are the key properties of 6-fluoro-3-[3-(1,2,3,4-tetrahydroquinolin-2-yl)propyl]-1,2-benzoxazole?
6-fluoro-3-[3-(1,2,3,4-tetrahydroquinolin-2-yl)propyl]-1,2-benzoxazole has a molecular weight of 310.37 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[3-(1,2,3,4-tetrahydroquinolin-2-yl)propyl]-1,2-benzoxazole is sourced from PubChem (CID 70409797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).