1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]indol-7-yl]-N-methylmethanamine

C16H19N3O2 — CID 102914020

IUPAC1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]indol-7-yl]-N-methylmethanamine
SMILESCNCc1cccc2ccn(Cc3cc(COC)on3)c12
InChIInChI=1S/C16H19N3O2/c1-17-9-13-5-3-4-12-6-7-19(16(12)13)10-14-8-15(11-20-2)21-18-14/h3-8,17H,9-11H2,1-2H3
InChIKeyHNDMBOFQEMQXCO-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.54
Rot. Bonds6

About 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]indol-7-yl]-N-methylmethanamine

1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]indol-7-yl]-N-methylmethanamine (PubChem CID 102914020) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]indol-7-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]indol-7-yl]-N-methylmethanamine
PubChem CID102914020
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]indol-7-yl]-N-methylmethanamine
SMILESCNCc1cccc2ccn(Cc3cc(COC)on3)c12
InChIInChI=1S/C16H19N3O2/c1-17-9-13-5-3-4-12-6-7-19(16(12)13)10-14-8-15(11-20-2)21-18-14/h3-8,17H,9-11H2,1-2H3
InChIKeyHNDMBOFQEMQXCO-UHFFFAOYSA-N
XLogP2.54
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]indol-7-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]indol-7-yl]-N-methylmethanamine (CID 102914020) is 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]indol-7-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]indol-7-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]indol-7-yl]-N-methylmethanamine is CNCc1cccc2ccn(Cc3cc(COC)on3)c12.
What is the InChIKey of 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]indol-7-yl]-N-methylmethanamine?
The InChIKey is HNDMBOFQEMQXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-17-9-13-5-3-4-12-6-7-19(16(12)13)10-14-8-15(11-20-2)21-18-14/h3-8,17H,9-11H2,1-2H3.
What are the key properties of 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]indol-7-yl]-N-methylmethanamine?
1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]indol-7-yl]-N-methylmethanamine has a molecular weight of 285.35 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]indol-7-yl]-N-methylmethanamine is sourced from PubChem (CID 102914020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).