4-(1,2,3,4-tetrahydroquinolin-4-yl)-1,3-oxazole

C12H12N2O — CID 55279661

IUPAC4-(1,2,3,4-tetrahydroquinolin-4-yl)-1,3-oxazole
SMILESc1ccc2c(c1)NCCC2c1cocn1
InChIInChI=1S/C12H12N2O/c1-2-4-11-9(3-1)10(5-6-13-11)12-7-15-8-14-12/h1-4,7-8,10,13H,5-6H2
InChIKeyPSKILHJQRQZLQK-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.62
Rot. Bonds1

About 4-(1,2,3,4-tetrahydroquinolin-4-yl)-1,3-oxazole

4-(1,2,3,4-tetrahydroquinolin-4-yl)-1,3-oxazole (PubChem CID 55279661) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydroquinolin-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydroquinolin-4-yl)-1,3-oxazole
PubChem CID55279661
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-(1,2,3,4-tetrahydroquinolin-4-yl)-1,3-oxazole
SMILESc1ccc2c(c1)NCCC2c1cocn1
InChIInChI=1S/C12H12N2O/c1-2-4-11-9(3-1)10(5-6-13-11)12-7-15-8-14-12/h1-4,7-8,10,13H,5-6H2
InChIKeyPSKILHJQRQZLQK-UHFFFAOYSA-N
XLogP2.62
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-4-yl)-1,3-oxazole?
The IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-4-yl)-1,3-oxazole (CID 55279661) is 4-(1,2,3,4-tetrahydroquinolin-4-yl)-1,3-oxazole.
What is the SMILES notation for 4-(1,2,3,4-tetrahydroquinolin-4-yl)-1,3-oxazole?
The canonical SMILES for 4-(1,2,3,4-tetrahydroquinolin-4-yl)-1,3-oxazole is c1ccc2c(c1)NCCC2c1cocn1.
What is the InChIKey of 4-(1,2,3,4-tetrahydroquinolin-4-yl)-1,3-oxazole?
The InChIKey is PSKILHJQRQZLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-4-11-9(3-1)10(5-6-13-11)12-7-15-8-14-12/h1-4,7-8,10,13H,5-6H2.
What are the key properties of 4-(1,2,3,4-tetrahydroquinolin-4-yl)-1,3-oxazole?
4-(1,2,3,4-tetrahydroquinolin-4-yl)-1,3-oxazole has a molecular weight of 200.24 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydroquinolin-4-yl)-1,3-oxazole is sourced from PubChem (CID 55279661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).