2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C12H16N4O2 — CID 20950817

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)c2c(C)n[nH]c2C)no1
InChIInChI=1S/C12H16N4O2/c1-6-5-10(16-18-6)13-12(17)7(2)11-8(3)14-15-9(11)4/h5,7H,1-4H3,(H,14,15)(H,13,16,17)
InChIKeyJHXWRNOLPMQKNX-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.07
Rot. Bonds3

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 20950817) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID20950817
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)c2c(C)n[nH]c2C)no1
InChIInChI=1S/C12H16N4O2/c1-6-5-10(16-18-6)13-12(17)7(2)11-8(3)14-15-9(11)4/h5,7H,1-4H3,(H,14,15)(H,13,16,17)
InChIKeyJHXWRNOLPMQKNX-UHFFFAOYSA-N
XLogP2.07
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 20950817) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)C(C)c2c(C)n[nH]c2C)no1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is JHXWRNOLPMQKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-6-5-10(16-18-6)13-12(17)7(2)11-8(3)14-15-9(11)4/h5,7H,1-4H3,(H,14,15)(H,13,16,17).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 248.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 20950817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).