4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)-5-methyl-1,2-oxazole-3-carboxamide

C16H24N4O3 — CID 20949001

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCOCCCNC(=O)c1noc(C)c1Cn1nc(C)cc1C
InChIInChI=1S/C16H24N4O3/c1-5-22-8-6-7-17-16(21)15-14(13(4)23-19-15)10-20-12(3)9-11(2)18-20/h9H,5-8,10H2,1-4H3,(H,17,21)
InChIKeyKEMJVXHJRWUQJJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.00
Rot. Bonds8

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)-5-methyl-1,2-oxazole-3-carboxamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 20949001) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID20949001
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCOCCCNC(=O)c1noc(C)c1Cn1nc(C)cc1C
InChIInChI=1S/C16H24N4O3/c1-5-22-8-6-7-17-16(21)15-14(13(4)23-19-15)10-20-12(3)9-11(2)18-20/h9H,5-8,10H2,1-4H3,(H,17,21)
InChIKeyKEMJVXHJRWUQJJ-UHFFFAOYSA-N
XLogP2.00
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 20949016
N-[[4-(dimethylamino)phenyl]methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 20949031
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide
CID 19270685
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 20949011
2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111026934
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 49014961
N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 5309119
4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(1-methylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46968699
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 19486450
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19490246
1-(2-ethoxyethyl)-3,5-dimethylpyrazole
CID 15154386
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[3-(2-methylpropoxy)propyl]urea
CID 78880670

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 20949001) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)-5-methyl-1,2-oxazole-3-carboxamide is CCOCCCNC(=O)c1noc(C)c1Cn1nc(C)cc1C.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is KEMJVXHJRWUQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-5-22-8-6-7-17-16(21)15-14(13(4)23-19-15)10-20-12(3)9-11(2)18-20/h9H,5-8,10H2,1-4H3,(H,17,21).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)-5-methyl-1,2-oxazole-3-carboxamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 20949001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).