3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(1,2-oxazol-3-yl)propanamide

C13H18N4O2 — CID 71689014

IUPAC3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(1,2-oxazol-3-yl)propanamide
SMILESCCn1nc(C)c(CCC(=O)Nc2ccon2)c1C
InChIInChI=1S/C13H18N4O2/c1-4-17-10(3)11(9(2)15-17)5-6-13(18)14-12-7-8-19-16-12/h7-8H,4-6H2,1-3H3,(H,14,16,18)
InChIKeyGKWISOIBDUNVJZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.08
Rot. Bonds5

About 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(1,2-oxazol-3-yl)propanamide

3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(1,2-oxazol-3-yl)propanamide (PubChem CID 71689014) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(1,2-oxazol-3-yl)propanamide
PubChem CID71689014
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(1,2-oxazol-3-yl)propanamide
SMILESCCn1nc(C)c(CCC(=O)Nc2ccon2)c1C
InChIInChI=1S/C13H18N4O2/c1-4-17-10(3)11(9(2)15-17)5-6-13(18)14-12-7-8-19-16-12/h7-8H,4-6H2,1-3H3,(H,14,16,18)
InChIKeyGKWISOIBDUNVJZ-UHFFFAOYSA-N
XLogP2.08
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(1-ethylpyrazol-4-yl)propanamide
CID 71688992
4-methyl-N-(1,2-oxazol-3-yl)pentanamide
CID 130694533
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 71689007
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 71689005
[3-(1,2-oxazol-3-ylamino)-3-oxopropyl]phosphonic acid
CID 71724313
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-ethylphenyl)propanamide
CID 8530903
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 91947447
3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1,2-oxazol-3-yl)propanamide
CID 91960578
N-(3-acetamido-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 37067897
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 91947688
3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide
CID 51237592
3-(3,4-dimethylphenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea
CID 53086282

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(1,2-oxazol-3-yl)propanamide (CID 71689014) is 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(1,2-oxazol-3-yl)propanamide is CCn1nc(C)c(CCC(=O)Nc2ccon2)c1C.
What is the InChIKey of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(1,2-oxazol-3-yl)propanamide?
The InChIKey is GKWISOIBDUNVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-4-17-10(3)11(9(2)15-17)5-6-13(18)14-12-7-8-19-16-12/h7-8H,4-6H2,1-3H3,(H,14,16,18).
What are the key properties of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(1,2-oxazol-3-yl)propanamide?
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(1,2-oxazol-3-yl)propanamide has a molecular weight of 262.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 71689014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).