3,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide

C12H16N4O2 — CID 37394488

IUPAC3,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCCn1cccn1
InChIInChI=1S/C12H16N4O2/c1-9-11(10(2)18-15-9)12(17)13-5-3-7-16-8-4-6-14-16/h4,6,8H,3,5,7H2,1-2H3,(H,13,17)
InChIKeyPKJMXSPJXQFBFS-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.31
Rot. Bonds5

About 3,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide (PubChem CID 37394488) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide
PubChem CID37394488
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCCn1cccn1
InChIInChI=1S/C12H16N4O2/c1-9-11(10(2)18-15-9)12(17)13-5-3-7-16-8-4-6-14-16/h4,6,8H,3,5,7H2,1-2H3,(H,13,17)
InChIKeyPKJMXSPJXQFBFS-UHFFFAOYSA-N
XLogP1.31
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.31
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-(2-chloro-6-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide
CID 37392691
5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37394680
3-(3-pyrazol-1-ylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369939
5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 62032150
4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 115686657
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 121020203
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122293384
3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 51077805
tert-butyl N-(3-pyrazol-1-ylpropyl)carbamate
CID 69176267
N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 166135903

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide (CID 37394488) is 3,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCCCn1cccn1.
What is the InChIKey of 3,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide?
The InChIKey is PKJMXSPJXQFBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-9-11(10(2)18-15-9)12(17)13-5-3-7-16-8-4-6-14-16/h4,6,8H,3,5,7H2,1-2H3,(H,13,17).
What are the key properties of 3,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 37394488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).