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

C18H20N4O2 — CID 24793665

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]butanamide
SMILESCc1cc(C)n(C(C)CC(=O)Nc2ccc(-c3ccno3)cc2)n1
InChIInChI=1S/C18H20N4O2/c1-12-10-13(2)22(21-12)14(3)11-18(23)20-16-6-4-15(5-7-16)17-8-9-19-24-17/h4-10,14H,11H2,1-3H3,(H,20,23)
InChIKeyCVNMURLUUPRPKM-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.74
Rot. Bonds5

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

3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]butanamide (PubChem CID 24793665) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]butanamide
PubChem CID24793665
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]butanamide
SMILESCc1cc(C)n(C(C)CC(=O)Nc2ccc(-c3ccno3)cc2)n1
InChIInChI=1S/C18H20N4O2/c1-12-10-13(2)22(21-12)14(3)11-18(23)20-16-6-4-15(5-7-16)17-8-9-19-24-17/h4-10,14H,11H2,1-3H3,(H,20,23)
InChIKeyCVNMURLUUPRPKM-UHFFFAOYSA-N
XLogP3.74
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.74
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]butanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]butanamide (CID 24793665) is 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]butanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]butanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]butanamide is Cc1cc(C)n(C(C)CC(=O)Nc2ccc(-c3ccno3)cc2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]butanamide?
The InChIKey is CVNMURLUUPRPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-10-13(2)22(21-12)14(3)11-18(23)20-16-6-4-15(5-7-16)17-8-9-19-24-17/h4-10,14H,11H2,1-3H3,(H,20,23).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]butanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]butanamide has a molecular weight of 324.38 g/mol, XLogP of 3.74, 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]butanamide is sourced from PubChem (CID 24793665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).