3-[3-(2-methylquinolin-6-yl)-1,2-oxazol-5-yl]propan-1-ol

C16H16N2O2 — CID 105379609

IUPAC3-[3-(2-methylquinolin-6-yl)-1,2-oxazol-5-yl]propan-1-ol
SMILESCc1ccc2cc(-c3cc(CCCO)on3)ccc2n1
InChIInChI=1S/C16H16N2O2/c1-11-4-5-12-9-13(6-7-15(12)17-11)16-10-14(20-18-16)3-2-8-19/h4-7,9-10,19H,2-3,8H2,1H3
InChIKeyJLRHZGJEBMGJET-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.12
Rot. Bonds4

About 3-[3-(2-methylquinolin-6-yl)-1,2-oxazol-5-yl]propan-1-ol

3-[3-(2-methylquinolin-6-yl)-1,2-oxazol-5-yl]propan-1-ol (PubChem CID 105379609) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[3-(2-methylquinolin-6-yl)-1,2-oxazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(2-methylquinolin-6-yl)-1,2-oxazol-5-yl]propan-1-ol
PubChem CID105379609
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-[3-(2-methylquinolin-6-yl)-1,2-oxazol-5-yl]propan-1-ol
SMILESCc1ccc2cc(-c3cc(CCCO)on3)ccc2n1
InChIInChI=1S/C16H16N2O2/c1-11-4-5-12-9-13(6-7-15(12)17-11)16-10-14(20-18-16)3-2-8-19/h4-7,9-10,19H,2-3,8H2,1H3
InChIKeyJLRHZGJEBMGJET-UHFFFAOYSA-N
XLogP3.12
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylquinolin-6-yl)-1,2-oxazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-(2-methylquinolin-6-yl)-1,2-oxazol-5-yl]propan-1-ol (CID 105379609) is 3-[3-(2-methylquinolin-6-yl)-1,2-oxazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(2-methylquinolin-6-yl)-1,2-oxazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-(2-methylquinolin-6-yl)-1,2-oxazol-5-yl]propan-1-ol is Cc1ccc2cc(-c3cc(CCCO)on3)ccc2n1.
What is the InChIKey of 3-[3-(2-methylquinolin-6-yl)-1,2-oxazol-5-yl]propan-1-ol?
The InChIKey is JLRHZGJEBMGJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-4-5-12-9-13(6-7-15(12)17-11)16-10-14(20-18-16)3-2-8-19/h4-7,9-10,19H,2-3,8H2,1H3.
What are the key properties of 3-[3-(2-methylquinolin-6-yl)-1,2-oxazol-5-yl]propan-1-ol?
3-[3-(2-methylquinolin-6-yl)-1,2-oxazol-5-yl]propan-1-ol has a molecular weight of 268.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylquinolin-6-yl)-1,2-oxazol-5-yl]propan-1-ol is sourced from PubChem (CID 105379609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).