[5-(2-methoxy-1,3-benzoxazol-4-yl)-1-methylpyrrolidin-3-yl]methanamine

C14H19N3O2 — CID 117407673

IUPAC[5-(2-methoxy-1,3-benzoxazol-4-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1nc2c(C3CC(CN)CN3C)cccc2o1
InChIInChI=1S/C14H19N3O2/c1-17-8-9(7-15)6-11(17)10-4-3-5-12-13(10)16-14(18-2)19-12/h3-5,9,11H,6-8,15H2,1-2H3
InChIKeyPQUZHONXEYMKTB-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.79
Rot. Bonds3

About [5-(2-methoxy-1,3-benzoxazol-4-yl)-1-methylpyrrolidin-3-yl]methanamine

[5-(2-methoxy-1,3-benzoxazol-4-yl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117407673) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [5-(2-methoxy-1,3-benzoxazol-4-yl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methoxy-1,3-benzoxazol-4-yl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117407673
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[5-(2-methoxy-1,3-benzoxazol-4-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1nc2c(C3CC(CN)CN3C)cccc2o1
InChIInChI=1S/C14H19N3O2/c1-17-8-9(7-15)6-11(17)10-4-3-5-12-13(10)16-14(18-2)19-12/h3-5,9,11H,6-8,15H2,1-2H3
InChIKeyPQUZHONXEYMKTB-UHFFFAOYSA-N
XLogP1.79
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxy-1,3-benzoxazol-4-yl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(2-methoxy-1,3-benzoxazol-4-yl)-1-methylpyrrolidin-3-yl]methanamine (CID 117407673) is [5-(2-methoxy-1,3-benzoxazol-4-yl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(2-methoxy-1,3-benzoxazol-4-yl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(2-methoxy-1,3-benzoxazol-4-yl)-1-methylpyrrolidin-3-yl]methanamine is COc1nc2c(C3CC(CN)CN3C)cccc2o1.
What is the InChIKey of [5-(2-methoxy-1,3-benzoxazol-4-yl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is PQUZHONXEYMKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17-8-9(7-15)6-11(17)10-4-3-5-12-13(10)16-14(18-2)19-12/h3-5,9,11H,6-8,15H2,1-2H3.
What are the key properties of [5-(2-methoxy-1,3-benzoxazol-4-yl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(2-methoxy-1,3-benzoxazol-4-yl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 261.32 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxy-1,3-benzoxazol-4-yl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117407673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).