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

C17H18N4O2 — CID 24790913

IUPAC3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]butanamide
SMILESCc1ccn(C(C)CC(=O)Nc2ccc(-c3ccno3)cc2)n1
InChIInChI=1S/C17H18N4O2/c1-12-8-10-21(20-12)13(2)11-17(22)19-15-5-3-14(4-6-15)16-7-9-18-23-16/h3-10,13H,11H2,1-2H3,(H,19,22)
InChIKeyKEFYDBYMKQOZGN-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.44
Rot. Bonds5

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

3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]butanamide (PubChem CID 24790913) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]butanamide
PubChem CID24790913
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]butanamide
SMILESCc1ccn(C(C)CC(=O)Nc2ccc(-c3ccno3)cc2)n1
InChIInChI=1S/C17H18N4O2/c1-12-8-10-21(20-12)13(2)11-17(22)19-15-5-3-14(4-6-15)16-7-9-18-23-16/h3-10,13H,11H2,1-2H3,(H,19,22)
InChIKeyKEFYDBYMKQOZGN-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
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]butanamide?
The IUPAC name of 3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]butanamide (CID 24790913) is 3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]butanamide.
What is the SMILES notation for 3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]butanamide?
The canonical SMILES for 3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]butanamide is Cc1ccn(C(C)CC(=O)Nc2ccc(-c3ccno3)cc2)n1.
What is the InChIKey of 3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]butanamide?
The InChIKey is KEFYDBYMKQOZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-8-10-21(20-12)13(2)11-17(22)19-15-5-3-14(4-6-15)16-7-9-18-23-16/h3-10,13H,11H2,1-2H3,(H,19,22).
What are the key properties of 3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]butanamide?
3-(3-methylpyrazol-1-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]butanamide has a molecular weight of 310.36 g/mol, XLogP of 3.44, 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]butanamide is sourced from PubChem (CID 24790913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).