2-(1-ethylpyrazol-3-yl)-2-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-phenylacetamide

C22H26N6O4 — CID 167811504

IUPAC2-(1-ethylpyrazol-3-yl)-2-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-phenylacetamide
SMILESCCn1ccc(C(C(=O)Nc2ccccc2)N2CCN(C(=O)c3cc(OC)no3)CC2)n1
InChIInChI=1S/C22H26N6O4/c1-3-28-10-9-17(24-28)20(21(29)23-16-7-5-4-6-8-16)26-11-13-27(14-12-26)22(30)18-15-19(31-2)25-32-18/h4-10,15,20H,3,11-14H2,1-2H3,(H,23,29)
InChIKeyWOZPJDKJTOZVEL-UHFFFAOYSA-N
MW438.49 g/mol
LogP2.04
Rot. Bonds7

About 2-(1-ethylpyrazol-3-yl)-2-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-phenylacetamide

2-(1-ethylpyrazol-3-yl)-2-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 167811504) has the molecular formula C22H26N6O4 and a molecular weight of 438.49 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-3-yl)-2-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-(1-ethylpyrazol-3-yl)-2-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-phenylacetamide
PubChem CID167811504
Molecular FormulaC22H26N6O4
Molecular Weight438.49 g/mol
Exact Mass438.20
IUPAC Name2-(1-ethylpyrazol-3-yl)-2-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-phenylacetamide
SMILESCCn1ccc(C(C(=O)Nc2ccccc2)N2CCN(C(=O)c3cc(OC)no3)CC2)n1
InChIInChI=1S/C22H26N6O4/c1-3-28-10-9-17(24-28)20(21(29)23-16-7-5-4-6-8-16)26-11-13-27(14-12-26)22(30)18-15-19(31-2)25-32-18/h4-10,15,20H,3,11-14H2,1-2H3,(H,23,29)
InChIKeyWOZPJDKJTOZVEL-UHFFFAOYSA-N
XLogP2.04
TPSA105.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-3-yl)-2-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-(1-ethylpyrazol-3-yl)-2-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-phenylacetamide (CID 167811504) is 2-(1-ethylpyrazol-3-yl)-2-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-(1-ethylpyrazol-3-yl)-2-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-(1-ethylpyrazol-3-yl)-2-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-phenylacetamide is CCn1ccc(C(C(=O)Nc2ccccc2)N2CCN(C(=O)c3cc(OC)no3)CC2)n1.
What is the InChIKey of 2-(1-ethylpyrazol-3-yl)-2-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is WOZPJDKJTOZVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4/c1-3-28-10-9-17(24-28)20(21(29)23-16-7-5-4-6-8-16)26-11-13-27(14-12-26)22(30)18-15-19(31-2)25-32-18/h4-10,15,20H,3,11-14H2,1-2H3,(H,23,29).
What are the key properties of 2-(1-ethylpyrazol-3-yl)-2-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-phenylacetamide?
2-(1-ethylpyrazol-3-yl)-2-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 438.49 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-3-yl)-2-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 167811504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).