1-isoquinolin-6-yl-N-(1,2-oxazol-5-ylmethyl)methanamine

C14H13N3O — CID 114185996

IUPAC1-isoquinolin-6-yl-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESc1cc2cc(CNCc3ccno3)ccc2cn1
InChIInChI=1S/C14H13N3O/c1-2-13-9-15-5-3-12(13)7-11(1)8-16-10-14-4-6-17-18-14/h1-7,9,16H,8,10H2
InChIKeyVPBTZUWRMKELTB-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.51
Rot. Bonds4

About 1-isoquinolin-6-yl-N-(1,2-oxazol-5-ylmethyl)methanamine

1-isoquinolin-6-yl-N-(1,2-oxazol-5-ylmethyl)methanamine (PubChem CID 114185996) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-isoquinolin-6-yl-N-(1,2-oxazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-isoquinolin-6-yl-N-(1,2-oxazol-5-ylmethyl)methanamine
PubChem CID114185996
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name1-isoquinolin-6-yl-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESc1cc2cc(CNCc3ccno3)ccc2cn1
InChIInChI=1S/C14H13N3O/c1-2-13-9-15-5-3-12(13)7-11(1)8-16-10-14-4-6-17-18-14/h1-7,9,16H,8,10H2
InChIKeyVPBTZUWRMKELTB-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

N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
CID 107037686
1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 107038302
1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
N-(1,2-oxazol-5-ylmethyl)-1-quinolin-6-ylmethanamine
CID 106415087
2,4,5-trifluoro-N-(isoquinolin-6-ylmethyl)aniline
CID 107038325
1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 103605027
1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine
CID 107038031
5-[(1,2-oxazol-5-ylmethylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 106419864
N-(isoquinolin-6-ylmethyl)-2-(oxolan-2-yl)ethanamine
CID 107038110
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-isoquinolin-6-ylmethanamine
CID 107038125
3,5-difluoro-N-(isoquinolin-6-ylmethyl)aniline
CID 107037597
1-isoquinolin-6-yl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 107038081

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-6-yl-N-(1,2-oxazol-5-ylmethyl)methanamine?
The IUPAC name of 1-isoquinolin-6-yl-N-(1,2-oxazol-5-ylmethyl)methanamine (CID 114185996) is 1-isoquinolin-6-yl-N-(1,2-oxazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-isoquinolin-6-yl-N-(1,2-oxazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-isoquinolin-6-yl-N-(1,2-oxazol-5-ylmethyl)methanamine is c1cc2cc(CNCc3ccno3)ccc2cn1.
What is the InChIKey of 1-isoquinolin-6-yl-N-(1,2-oxazol-5-ylmethyl)methanamine?
The InChIKey is VPBTZUWRMKELTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-13-9-15-5-3-12(13)7-11(1)8-16-10-14-4-6-17-18-14/h1-7,9,16H,8,10H2.
What are the key properties of 1-isoquinolin-6-yl-N-(1,2-oxazol-5-ylmethyl)methanamine?
1-isoquinolin-6-yl-N-(1,2-oxazol-5-ylmethyl)methanamine 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 1-isoquinolin-6-yl-N-(1,2-oxazol-5-ylmethyl)methanamine is sourced from PubChem (CID 114185996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).