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

C17H18N4O2 — CID 24790950

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2ccc(-c3ccno3)cc2)n1
InChIInChI=1S/C17H18N4O2/c1-12-11-13(2)21(20-12)10-8-17(22)19-15-5-3-14(4-6-15)16-7-9-18-23-16/h3-7,9,11H,8,10H2,1-2H3,(H,19,22)
InChIKeyIYXSEZOVOQILTR-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.18
Rot. Bonds5

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

3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide (PubChem CID 24790950) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide
PubChem CID24790950
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2ccc(-c3ccno3)cc2)n1
InChIInChI=1S/C17H18N4O2/c1-12-11-13(2)21(20-12)10-8-17(22)19-15-5-3-14(4-6-15)16-7-9-18-23-16/h3-7,9,11H,8,10H2,1-2H3,(H,19,22)
InChIKeyIYXSEZOVOQILTR-UHFFFAOYSA-N
XLogP3.18
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide (CID 24790950) is 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide is Cc1cc(C)n(CCC(=O)Nc2ccc(-c3ccno3)cc2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide?
The InChIKey is IYXSEZOVOQILTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-11-13(2)21(20-12)10-8-17(22)19-15-5-3-14(4-6-15)16-7-9-18-23-16/h3-7,9,11H,8,10H2,1-2H3,(H,19,22).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide has a molecular weight of 310.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 24790950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).