5,7-dichloro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole

C16H12Cl2N2O — CID 107676294

IUPAC5,7-dichloro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole
SMILESClc1cc(Cl)c2oc(C3CNc4ccccc4C3)nc2c1
InChIInChI=1S/C16H12Cl2N2O/c17-11-6-12(18)15-14(7-11)20-16(21-15)10-5-9-3-1-2-4-13(9)19-8-10/h1-4,6-7,10,19H,5,8H2
InChIKeyMOEUXWIGUZYTTC-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.89
Rot. Bonds1

About 5,7-dichloro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole

5,7-dichloro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole (PubChem CID 107676294) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 5,7-dichloro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5,7-dichloro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole
PubChem CID107676294
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name5,7-dichloro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole
SMILESClc1cc(Cl)c2oc(C3CNc4ccccc4C3)nc2c1
InChIInChI=1S/C16H12Cl2N2O/c17-11-6-12(18)15-14(7-11)20-16(21-15)10-5-9-3-1-2-4-13(9)19-8-10/h1-4,6-7,10,19H,5,8H2
InChIKeyMOEUXWIGUZYTTC-UHFFFAOYSA-N
XLogP4.89
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole
CID 106902739
6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole
CID 106902728
3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902639
5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine
CID 82231734
3-(4-bromothiophen-2-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902657
3-(7H-purin-8-yl)-1,2,3,4-tetrahydroquinoline
CID 106902586
5,7-dichloro-2-(2,3-dihydro-1H-indol-6-yl)-1,3-benzoxazole
CID 107676012
3-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 106780991
5-(1,2,3,4-tetrahydroquinolin-3-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 106902692
3-(2-methylfuran-3-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902703
6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole
CID 106902598
6-fluoro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole
CID 106902599

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole?
The IUPAC name of 5,7-dichloro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole (CID 107676294) is 5,7-dichloro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole.
What is the SMILES notation for 5,7-dichloro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole?
The canonical SMILES for 5,7-dichloro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole is Clc1cc(Cl)c2oc(C3CNc4ccccc4C3)nc2c1.
What is the InChIKey of 5,7-dichloro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole?
The InChIKey is MOEUXWIGUZYTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c17-11-6-12(18)15-14(7-11)20-16(21-15)10-5-9-3-1-2-4-13(9)19-8-10/h1-4,6-7,10,19H,5,8H2.
What are the key properties of 5,7-dichloro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole?
5,7-dichloro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole has a molecular weight of 319.19 g/mol, XLogP of 4.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole is sourced from PubChem (CID 107676294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).