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

C14H17N3O3 — CID 46096966

IUPACN-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
SMILESCOCCCNC(=O)c1c(C)noc1-c1cccnc1
InChIInChI=1S/C14H17N3O3/c1-10-12(14(18)16-7-4-8-19-2)13(20-17-10)11-5-3-6-15-9-11/h3,5-6,9H,4,7-8H2,1-2H3,(H,16,18)
InChIKeyJIXZXMGKUWHUEF-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.81
Rot. Bonds6

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

N-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide (PubChem CID 46096966) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
PubChem CID46096966
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
SMILESCOCCCNC(=O)c1c(C)noc1-c1cccnc1
InChIInChI=1S/C14H17N3O3/c1-10-12(14(18)16-7-4-8-19-2)13(20-17-10)11-5-3-6-15-9-11/h3,5-6,9H,4,7-8H2,1-2H3,(H,16,18)
InChIKeyJIXZXMGKUWHUEF-UHFFFAOYSA-N
XLogP1.81
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.81
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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Related Compounds

5-(4-bromophenyl)-N-(3-methoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110677065
N-[(4-methoxyphenyl)methyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46093945
N-(3-ethoxypropyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001838
N-(3-imidazol-1-ylpropyl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 57383679
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46097161
3-methyl-N-(2-propoxyethyl)-5-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 46097017
5-(3,5-dimethoxyphenyl)-N-(3-ethoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46097321
5-(4-bromophenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 110677073
N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3113992
N-(3-methoxypropyl)-5-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797519
5-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46093942
N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27556068

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide (CID 46096966) is N-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide is COCCCNC(=O)c1c(C)noc1-c1cccnc1.
What is the InChIKey of N-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The InChIKey is JIXZXMGKUWHUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10-12(14(18)16-7-4-8-19-2)13(20-17-10)11-5-3-6-15-9-11/h3,5-6,9H,4,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide?
N-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46096966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).