2-(quinolin-2-ylmethyl)-1,3-benzoxazole

C17H12N2O — CID 163990479

IUPAC2-(quinolin-2-ylmethyl)-1,3-benzoxazole
SMILESc1ccc2nc(Cc3nc4ccccc4o3)ccc2c1
InChIInChI=1S/C17H12N2O/c1-2-6-14-12(5-1)9-10-13(18-14)11-17-19-15-7-3-4-8-16(15)20-17/h1-10H,11H2
InChIKeyUAEIMPSJRRKIHW-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.97
Rot. Bonds2

About 2-(quinolin-2-ylmethyl)-1,3-benzoxazole

2-(quinolin-2-ylmethyl)-1,3-benzoxazole (PubChem CID 163990479) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(quinolin-2-ylmethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(quinolin-2-ylmethyl)-1,3-benzoxazole
PubChem CID163990479
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name2-(quinolin-2-ylmethyl)-1,3-benzoxazole
SMILESc1ccc2nc(Cc3nc4ccccc4o3)ccc2c1
InChIInChI=1S/C17H12N2O/c1-2-6-14-12(5-1)9-10-13(18-14)11-17-19-15-7-3-4-8-16(15)20-17/h1-10H,11H2
InChIKeyUAEIMPSJRRKIHW-UHFFFAOYSA-N
XLogP3.97
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-benzoxazol-2-ylmethyl)-1,3-thiazol-2-amine
CID 15752390
2-ethyl-1,3-benzoxazole
CID 23239
CID 173263701
CID 173263701
2-[(4-tert-butylphenyl)methyl]-1,3-benzoxazole
CID 132966346
CID 89210421
CID 89210421
4-(1,3-benzoxazol-2-ylmethyl)benzonitrile
CID 12624564
2-[(3-bromophenyl)methyl]-1,3-benzoxazole
CID 82489683
sodium 2-(1,3-benzoxazol-2-yl)acetate
CID 75531246
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
2-(iodomethyl)quinoline
CID 19432604
1,3-benzoxazol-2-ylmethanesulfonic acid
CID 12745947
7-methyl-2-(quinolin-2-ylmethyl)quinoline
CID 146200056

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-2-ylmethyl)-1,3-benzoxazole?
The IUPAC name of 2-(quinolin-2-ylmethyl)-1,3-benzoxazole (CID 163990479) is 2-(quinolin-2-ylmethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(quinolin-2-ylmethyl)-1,3-benzoxazole?
The canonical SMILES for 2-(quinolin-2-ylmethyl)-1,3-benzoxazole is c1ccc2nc(Cc3nc4ccccc4o3)ccc2c1.
What is the InChIKey of 2-(quinolin-2-ylmethyl)-1,3-benzoxazole?
The InChIKey is UAEIMPSJRRKIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c1-2-6-14-12(5-1)9-10-13(18-14)11-17-19-15-7-3-4-8-16(15)20-17/h1-10H,11H2.
What are the key properties of 2-(quinolin-2-ylmethyl)-1,3-benzoxazole?
2-(quinolin-2-ylmethyl)-1,3-benzoxazole has a molecular weight of 260.30 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-2-ylmethyl)-1,3-benzoxazole is sourced from PubChem (CID 163990479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).