3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide

C16H16N4O2 — CID 24790939

IUPAC3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide
SMILESCc1ccn(CCC(=O)Nc2ccc(-c3ccno3)cc2)n1
InChIInChI=1S/C16H16N4O2/c1-12-7-10-20(19-12)11-8-16(21)18-14-4-2-13(3-5-14)15-6-9-17-22-15/h2-7,9-10H,8,11H2,1H3,(H,18,21)
InChIKeyWELSWPSIMPNCDB-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.88
Rot. Bonds5

About 3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide

3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide (PubChem CID 24790939) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide
PubChem CID24790939
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide
SMILESCc1ccn(CCC(=O)Nc2ccc(-c3ccno3)cc2)n1
InChIInChI=1S/C16H16N4O2/c1-12-7-10-20(19-12)11-8-16(21)18-14-4-2-13(3-5-14)15-6-9-17-22-15/h2-7,9-10H,8,11H2,1H3,(H,18,21)
InChIKeyWELSWPSIMPNCDB-UHFFFAOYSA-N
XLogP2.88
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide?
The IUPAC name of 3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide (CID 24790939) is 3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide?
The canonical SMILES for 3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide is Cc1ccn(CCC(=O)Nc2ccc(-c3ccno3)cc2)n1.
What is the InChIKey of 3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide?
The InChIKey is WELSWPSIMPNCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-12-7-10-20(19-12)11-8-16(21)18-14-4-2-13(3-5-14)15-6-9-17-22-15/h2-7,9-10H,8,11H2,1H3,(H,18,21).
What are the key properties of 3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide?
3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide has a molecular weight of 296.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 24790939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).