2-(4-chloro-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C11H13ClN4O2 — CID 4769387

IUPAC2-(4-chloro-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)n2ncc(Cl)c2C)no1
InChIInChI=1S/C11H13ClN4O2/c1-6-4-10(15-18-6)14-11(17)8(3)16-7(2)9(12)5-13-16/h4-5,8H,1-3H3,(H,14,15,17)
InChIKeyWVIHWLCJNMHHHS-UHFFFAOYSA-N
MW268.70 g/mol
LogP2.34
Rot. Bonds3

About 2-(4-chloro-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-(4-chloro-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 4769387) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 2-(4-chloro-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID4769387
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name2-(4-chloro-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)n2ncc(Cl)c2C)no1
InChIInChI=1S/C11H13ClN4O2/c1-6-4-10(15-18-6)14-11(17)8(3)16-7(2)9(12)5-13-16/h4-5,8H,1-3H3,(H,14,15,17)
InChIKeyWVIHWLCJNMHHHS-UHFFFAOYSA-N
XLogP2.34
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 4769387) is 2-(4-chloro-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-(4-chloro-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-(4-chloro-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)C(C)n2ncc(Cl)c2C)no1.
What is the InChIKey of 2-(4-chloro-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is WVIHWLCJNMHHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-6-4-10(15-18-6)14-11(17)8(3)16-7(2)9(12)5-13-16/h4-5,8H,1-3H3,(H,14,15,17).
What are the key properties of 2-(4-chloro-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-(4-chloro-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 268.70 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 4769387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).