N-(1,2-oxazol-5-ylmethyl)-1-quinolin-6-ylmethanamine

C14H13N3O — CID 106415087

IUPACN-(1,2-oxazol-5-ylmethyl)-1-quinolin-6-ylmethanamine
SMILESc1cnc2ccc(CNCc3ccno3)cc2c1
InChIInChI=1S/C14H13N3O/c1-2-12-8-11(3-4-14(12)16-6-1)9-15-10-13-5-7-17-18-13/h1-8,15H,9-10H2
InChIKeyHATJLFKMZOMYOM-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.51
Rot. Bonds4

About N-(1,2-oxazol-5-ylmethyl)-1-quinolin-6-ylmethanamine

N-(1,2-oxazol-5-ylmethyl)-1-quinolin-6-ylmethanamine (PubChem CID 106415087) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-1-quinolin-6-ylmethanamine.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-1-quinolin-6-ylmethanamine
PubChem CID106415087
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-1-quinolin-6-ylmethanamine
SMILESc1cnc2ccc(CNCc3ccno3)cc2c1
InChIInChI=1S/C14H13N3O/c1-2-12-8-11(3-4-14(12)16-6-1)9-15-10-13-5-7-17-18-13/h1-8,15H,9-10H2
InChIKeyHATJLFKMZOMYOM-UHFFFAOYSA-N
XLogP2.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-isoquinolin-6-yl-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 114185996
N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 63306756
1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
N-(quinolin-6-ylmethyl)prop-2-yn-1-amine
CID 28776188
4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine
CID 106844355
1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 103605027
3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115363507
N-[(4-methyl-3-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 114955119
3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol
CID 115630613
5-[(1,2-oxazol-5-ylmethylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 106419864
2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol
CID 107850850
N-ethyl-N-methyl-2-(quinolin-6-ylmethylamino)acetamide
CID 104923508

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-1-quinolin-6-ylmethanamine?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-1-quinolin-6-ylmethanamine (CID 106415087) is N-(1,2-oxazol-5-ylmethyl)-1-quinolin-6-ylmethanamine.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-1-quinolin-6-ylmethanamine?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-1-quinolin-6-ylmethanamine is c1cnc2ccc(CNCc3ccno3)cc2c1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-1-quinolin-6-ylmethanamine?
The InChIKey is HATJLFKMZOMYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-12-8-11(3-4-14(12)16-6-1)9-15-10-13-5-7-17-18-13/h1-8,15H,9-10H2.
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-1-quinolin-6-ylmethanamine?
N-(1,2-oxazol-5-ylmethyl)-1-quinolin-6-ylmethanamine has a molecular weight of 239.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-1-quinolin-6-ylmethanamine is sourced from PubChem (CID 106415087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).