5-methoxy-N-(1,2-oxazol-5-ylmethyl)isoquinolin-1-amine

C14H13N3O2 — CID 106419042

IUPAC5-methoxy-N-(1,2-oxazol-5-ylmethyl)isoquinolin-1-amine
SMILESCOc1cccc2c(NCc3ccno3)nccc12
InChIInChI=1S/C14H13N3O2/c1-18-13-4-2-3-12-11(13)6-7-15-14(12)16-9-10-5-8-17-19-10/h2-8H,9H2,1H3,(H,15,16)
InChIKeyBOGVDTHFOPSGLD-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.84
Rot. Bonds4

About 5-methoxy-N-(1,2-oxazol-5-ylmethyl)isoquinolin-1-amine

5-methoxy-N-(1,2-oxazol-5-ylmethyl)isoquinolin-1-amine (PubChem CID 106419042) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-methoxy-N-(1,2-oxazol-5-ylmethyl)isoquinolin-1-amine.

Molecular Properties

Compound Name5-methoxy-N-(1,2-oxazol-5-ylmethyl)isoquinolin-1-amine
PubChem CID106419042
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-methoxy-N-(1,2-oxazol-5-ylmethyl)isoquinolin-1-amine
SMILESCOc1cccc2c(NCc3ccno3)nccc12
InChIInChI=1S/C14H13N3O2/c1-18-13-4-2-3-12-11(13)6-7-15-14(12)16-9-10-5-8-17-19-10/h2-8H,9H2,1H3,(H,15,16)
InChIKeyBOGVDTHFOPSGLD-UHFFFAOYSA-N
XLogP2.84
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromophenyl)methyl]-5-methoxyisoquinolin-1-amine
CID 106537400
N-[(5-chlorothiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine
CID 106538714
5-methoxy-N-(1H-pyrazol-5-ylmethyl)isoquinolin-1-amine
CID 106537946
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine
CID 106538907
5-methoxy-N-[(1-methylimidazol-2-yl)methyl]isoquinolin-1-amine
CID 106538538
N-(2,2-dimethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 107389937
N-(3-chloropropyl)-5-methoxyisoquinolin-1-amine
CID 106542642
5-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]isoquinolin-1-amine
CID 106537769
5-methoxy-N-pentylisoquinolin-1-amine
CID 106537272
1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415154
N-but-3-enyl-5-methoxyisoquinolin-1-amine
CID 106539509
N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 106537643

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(1,2-oxazol-5-ylmethyl)isoquinolin-1-amine?
The IUPAC name of 5-methoxy-N-(1,2-oxazol-5-ylmethyl)isoquinolin-1-amine (CID 106419042) is 5-methoxy-N-(1,2-oxazol-5-ylmethyl)isoquinolin-1-amine.
What is the SMILES notation for 5-methoxy-N-(1,2-oxazol-5-ylmethyl)isoquinolin-1-amine?
The canonical SMILES for 5-methoxy-N-(1,2-oxazol-5-ylmethyl)isoquinolin-1-amine is COc1cccc2c(NCc3ccno3)nccc12.
What is the InChIKey of 5-methoxy-N-(1,2-oxazol-5-ylmethyl)isoquinolin-1-amine?
The InChIKey is BOGVDTHFOPSGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-18-13-4-2-3-12-11(13)6-7-15-14(12)16-9-10-5-8-17-19-10/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of 5-methoxy-N-(1,2-oxazol-5-ylmethyl)isoquinolin-1-amine?
5-methoxy-N-(1,2-oxazol-5-ylmethyl)isoquinolin-1-amine has a molecular weight of 255.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(1,2-oxazol-5-ylmethyl)isoquinolin-1-amine is sourced from PubChem (CID 106419042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).