4-methoxy-2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-benzoxazole

C17H16N2O2 — CID 114764886

IUPAC4-methoxy-2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-benzoxazole
SMILESCOc1cccc2oc(-c3cccc4c3CCCN4)nc12
InChIInChI=1S/C17H16N2O2/c1-20-14-8-3-9-15-16(14)19-17(21-15)12-5-2-7-13-11(12)6-4-10-18-13/h2-3,5,7-9,18H,4,6,10H2,1H3
InChIKeyVEEGJPVCLNCOKH-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.86
Rot. Bonds2

About 4-methoxy-2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-benzoxazole

4-methoxy-2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-benzoxazole (PubChem CID 114764886) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-methoxy-2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name4-methoxy-2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-benzoxazole
PubChem CID114764886
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-methoxy-2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-benzoxazole
SMILESCOc1cccc2oc(-c3cccc4c3CCCN4)nc12
InChIInChI=1S/C17H16N2O2/c1-20-14-8-3-9-15-16(14)19-17(21-15)12-5-2-7-13-11(12)6-4-10-18-13/h2-3,5,7-9,18H,4,6,10H2,1H3
InChIKeyVEEGJPVCLNCOKH-UHFFFAOYSA-N
XLogP3.86
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 133058760
2-(4-methoxy-1,3-benzoxazol-2-yl)-6-methylaniline
CID 114764907
3-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2,4-oxadiazole
CID 61412494
N-(2-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine
CID 81214445
4-chloro-2-(4-methoxy-1,3-benzoxazol-2-yl)aniline
CID 114765012
2,4-dibromo-6-(4-methoxy-1,3-benzoxazol-2-yl)aniline
CID 114764858
5-(1,2,3,4-tetrahydroquinolin-5-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 79953382
4-(2,3-dihydro-1H-indol-4-yl)-7-methoxy-1H-benzimidazole
CID 175786397
4-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,3-benzoxazole
CID 114765025
2-(1,2,3,4-tetrahydroquinolin-5-yl)phenol
CID 69017976
4-methoxy-2-(3-methylpiperidin-3-yl)-1,3-benzoxazole
CID 114765029
6-methoxy-1,2,3,4-tetrahydroquinolin-5-ol
CID 84656926

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-benzoxazole?
The IUPAC name of 4-methoxy-2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-benzoxazole (CID 114764886) is 4-methoxy-2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 4-methoxy-2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-benzoxazole?
The canonical SMILES for 4-methoxy-2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-benzoxazole is COc1cccc2oc(-c3cccc4c3CCCN4)nc12.
What is the InChIKey of 4-methoxy-2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-benzoxazole?
The InChIKey is VEEGJPVCLNCOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-20-14-8-3-9-15-16(14)19-17(21-15)12-5-2-7-13-11(12)6-4-10-18-13/h2-3,5,7-9,18H,4,6,10H2,1H3.
What are the key properties of 4-methoxy-2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-benzoxazole?
4-methoxy-2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-benzoxazole has a molecular weight of 280.33 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 114764886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).