N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrazol-1-ylbutanamide

C16H16N4O2 — CID 24793772

IUPACN-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrazol-1-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(-c2ccno2)cc1)n1cccn1
InChIInChI=1S/C16H16N4O2/c1-12(20-10-2-8-17-20)11-16(21)19-14-5-3-13(4-6-14)15-7-9-18-22-15/h2-10,12H,11H2,1H3,(H,19,21)
InChIKeyOIRZKXSQIBPBED-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.13
Rot. Bonds5

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

N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrazol-1-ylbutanamide (PubChem CID 24793772) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrazol-1-ylbutanamide
PubChem CID24793772
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrazol-1-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(-c2ccno2)cc1)n1cccn1
InChIInChI=1S/C16H16N4O2/c1-12(20-10-2-8-17-20)11-16(21)19-14-5-3-13(4-6-14)15-7-9-18-22-15/h2-10,12H,11H2,1H3,(H,19,21)
InChIKeyOIRZKXSQIBPBED-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrazol-1-ylbutanamide?
The IUPAC name of N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrazol-1-ylbutanamide (CID 24793772) is N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrazol-1-ylbutanamide is CC(CC(=O)Nc1ccc(-c2ccno2)cc1)n1cccn1.
What is the InChIKey of N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrazol-1-ylbutanamide?
The InChIKey is OIRZKXSQIBPBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-12(20-10-2-8-17-20)11-16(21)19-14-5-3-13(4-6-14)15-7-9-18-22-15/h2-10,12H,11H2,1H3,(H,19,21).
What are the key properties of N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrazol-1-ylbutanamide?
N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrazol-1-ylbutanamide has a molecular weight of 296.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrazol-1-ylbutanamide is sourced from PubChem (CID 24793772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).