3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide

C13H22N2O4 — CID 86985319

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide
SMILESCOCCOCCNC(=O)CCc1c(C)noc1C
InChIInChI=1S/C13H22N2O4/c1-10-12(11(2)19-15-10)4-5-13(16)14-6-7-18-9-8-17-3/h4-9H2,1-3H3,(H,14,16)
InChIKeyPTSSEIROWIMMKD-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.00
Rot. Bonds9

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide (PubChem CID 86985319) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide
PubChem CID86985319
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide
SMILESCOCCOCCNC(=O)CCc1c(C)noc1C
InChIInChI=1S/C13H22N2O4/c1-10-12(11(2)19-15-10)4-5-13(16)14-6-7-18-9-8-17-3/h4-9H2,1-3H3,(H,14,16)
InChIKeyPTSSEIROWIMMKD-UHFFFAOYSA-N
XLogP1.00
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.00
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

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 86908068
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18132053
N-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 31974696
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethyl)urea
CID 47856555
N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110833015
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 102914904
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(methylamino)propyl]propanamide
CID 120828813
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2-methylpropyl)propanamide
CID 65031474
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylsulfonylpropanamide
CID 131925760
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120887952
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 30867383

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide (CID 86985319) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide is COCCOCCNC(=O)CCc1c(C)noc1C.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide?
The InChIKey is PTSSEIROWIMMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-10-12(11(2)19-15-10)4-5-13(16)14-6-7-18-9-8-17-3/h4-9H2,1-3H3,(H,14,16).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide has a molecular weight of 270.33 g/mol, XLogP of 1.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide is sourced from PubChem (CID 86985319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).