N-methyl-N-propyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide

C18H19N3O3 — CID 56744732

IUPACN-methyl-N-propyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCCN(C)C(=O)c1cc(COc2ccc3ncccc3c2)on1
InChIInChI=1S/C18H19N3O3/c1-3-9-21(2)18(22)17-11-15(24-20-17)12-23-14-6-7-16-13(10-14)5-4-8-19-16/h4-8,10-11H,3,9,12H2,1-2H3
InChIKeyLQWKYGRAIFIZKK-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.28
Rot. Bonds6

About N-methyl-N-propyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide

N-methyl-N-propyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 56744732) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-methyl-N-propyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-propyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID56744732
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-methyl-N-propyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCCN(C)C(=O)c1cc(COc2ccc3ncccc3c2)on1
InChIInChI=1S/C18H19N3O3/c1-3-9-21(2)18(22)17-11-15(24-20-17)12-23-14-6-7-16-13(10-14)5-4-8-19-16/h4-8,10-11H,3,9,12H2,1-2H3
InChIKeyLQWKYGRAIFIZKK-UHFFFAOYSA-N
XLogP3.28
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-N-propyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide (CID 56744732) is N-methyl-N-propyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-propyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-N-propyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide is CCCN(C)C(=O)c1cc(COc2ccc3ncccc3c2)on1.
What is the InChIKey of N-methyl-N-propyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is LQWKYGRAIFIZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-9-21(2)18(22)17-11-15(24-20-17)12-23-14-6-7-16-13(10-14)5-4-8-19-16/h4-8,10-11H,3,9,12H2,1-2H3.
What are the key properties of N-methyl-N-propyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide?
N-methyl-N-propyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56744732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).