3-methyl-N-(2-propoxyethyl)-5-pyridin-4-yl-1,2-oxazole-4-carboxamide

C15H19N3O3 — CID 46097017

IUPAC3-methyl-N-(2-propoxyethyl)-5-pyridin-4-yl-1,2-oxazole-4-carboxamide
SMILESCCCOCCNC(=O)c1c(C)noc1-c1ccncc1
InChIInChI=1S/C15H19N3O3/c1-3-9-20-10-8-17-15(19)13-11(2)18-21-14(13)12-4-6-16-7-5-12/h4-7H,3,8-10H2,1-2H3,(H,17,19)
InChIKeyAAKFSIQJSCJCHN-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.20
Rot. Bonds7

About 3-methyl-N-(2-propoxyethyl)-5-pyridin-4-yl-1,2-oxazole-4-carboxamide

3-methyl-N-(2-propoxyethyl)-5-pyridin-4-yl-1,2-oxazole-4-carboxamide (PubChem CID 46097017) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-methyl-N-(2-propoxyethyl)-5-pyridin-4-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-propoxyethyl)-5-pyridin-4-yl-1,2-oxazole-4-carboxamide
PubChem CID46097017
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-methyl-N-(2-propoxyethyl)-5-pyridin-4-yl-1,2-oxazole-4-carboxamide
SMILESCCCOCCNC(=O)c1c(C)noc1-c1ccncc1
InChIInChI=1S/C15H19N3O3/c1-3-9-20-10-8-17-15(19)13-11(2)18-21-14(13)12-4-6-16-7-5-12/h4-7H,3,8-10H2,1-2H3,(H,17,19)
InChIKeyAAKFSIQJSCJCHN-UHFFFAOYSA-N
XLogP2.20
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-propoxyethyl)-5-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(2-propoxyethyl)-5-pyridin-4-yl-1,2-oxazole-4-carboxamide (CID 46097017) is 3-methyl-N-(2-propoxyethyl)-5-pyridin-4-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-propoxyethyl)-5-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(2-propoxyethyl)-5-pyridin-4-yl-1,2-oxazole-4-carboxamide is CCCOCCNC(=O)c1c(C)noc1-c1ccncc1.
What is the InChIKey of 3-methyl-N-(2-propoxyethyl)-5-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The InChIKey is AAKFSIQJSCJCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-9-20-10-8-17-15(19)13-11(2)18-21-14(13)12-4-6-16-7-5-12/h4-7H,3,8-10H2,1-2H3,(H,17,19).
What are the key properties of 3-methyl-N-(2-propoxyethyl)-5-pyridin-4-yl-1,2-oxazole-4-carboxamide?
3-methyl-N-(2-propoxyethyl)-5-pyridin-4-yl-1,2-oxazole-4-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-propoxyethyl)-5-pyridin-4-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).