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

C14H18N2O3S — CID 46097007

IUPAC3-methyl-N-(2-propoxyethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCCCOCCNC(=O)c1c(C)noc1-c1cccs1
InChIInChI=1S/C14H18N2O3S/c1-3-7-18-8-6-15-14(17)12-10(2)16-19-13(12)11-5-4-9-20-11/h4-5,9H,3,6-8H2,1-2H3,(H,15,17)
InChIKeyFQTQOSQSWOMSKK-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.87
Rot. Bonds7

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

3-methyl-N-(2-propoxyethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 46097007) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-methyl-N-(2-propoxyethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-propoxyethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
PubChem CID46097007
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name3-methyl-N-(2-propoxyethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCCCOCCNC(=O)c1c(C)noc1-c1cccs1
InChIInChI=1S/C14H18N2O3S/c1-3-7-18-8-6-15-14(17)12-10(2)16-19-13(12)11-5-4-9-20-11/h4-5,9H,3,6-8H2,1-2H3,(H,15,17)
InChIKeyFQTQOSQSWOMSKK-UHFFFAOYSA-N
XLogP2.87
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.87
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-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 2811699
N-(2-methoxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777443
5-methyl-3-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 2165768
3,5-dimethyl-N-(2-thienylmethyl)-4-isoxazolecarboxamide
CID 715561
3-methyl-N-(1-naphthalen-1-ylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 44522175
N-[2-(3-chlorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 44522188
N4-{[5-(methylthio)-2-thienyl]methyl}-3,5-dimethylisoxazole-4-carboxamide
CID 2740429
N-(3-morpholin-4-ylpropyl)-5-thien-2-ylisoxazole-3-carboxamide
CID 3242786
3-Methyl-N-(4-phenylbutan-2-YL)-5-(thiophen-2-YL)-1,2-oxazole-4-carboxamide
CID 46093882
3-Methyl-N-[(3-methylphenyl)methyl]-5-(thiophen-2-YL)-1,2-oxazole-4-carboxamide
CID 46093938
3,5-dimethyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-1,2-oxazole-4-carboxamide
CID 9472037
N-[(4-methylphenyl)methyl]-2-[(5-(2-thienyl)isoxazol-3-yl)methoxy]acetamide
CID 16020770

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-propoxyethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(2-propoxyethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide (CID 46097007) is 3-methyl-N-(2-propoxyethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-propoxyethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(2-propoxyethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide is CCCOCCNC(=O)c1c(C)noc1-c1cccs1.
What is the InChIKey of 3-methyl-N-(2-propoxyethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is FQTQOSQSWOMSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-3-7-18-8-6-15-14(17)12-10(2)16-19-13(12)11-5-4-9-20-11/h4-5,9H,3,6-8H2,1-2H3,(H,15,17).
What are the key properties of 3-methyl-N-(2-propoxyethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
3-methyl-N-(2-propoxyethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 2.87, 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-thiophen-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).