N-[1-tert-butyl-5-(4-oxooxolan-2-yl)pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

C17H22N4O4 — CID 164880036

IUPACN-[1-tert-butyl-5-(4-oxooxolan-2-yl)pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)Nc2cc(C3CC(=O)CO3)n(C(C)(C)C)n2)on1
InChIInChI=1S/C17H22N4O4/c1-10-5-12(25-20-10)7-16(23)18-15-8-13(14-6-11(22)9-24-14)21(19-15)17(2,3)4/h5,8,14H,6-7,9H2,1-4H3,(H,18,19,23)
InChIKeyCJMMUVSXXSPRFG-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.15
Rot. Bonds4

About N-[1-tert-butyl-5-(4-oxooxolan-2-yl)pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

N-[1-tert-butyl-5-(4-oxooxolan-2-yl)pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 164880036) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[1-tert-butyl-5-(4-oxooxolan-2-yl)pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-tert-butyl-5-(4-oxooxolan-2-yl)pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID164880036
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC NameN-[1-tert-butyl-5-(4-oxooxolan-2-yl)pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)Nc2cc(C3CC(=O)CO3)n(C(C)(C)C)n2)on1
InChIInChI=1S/C17H22N4O4/c1-10-5-12(25-20-10)7-16(23)18-15-8-13(14-6-11(22)9-24-14)21(19-15)17(2,3)4/h5,8,14H,6-7,9H2,1-4H3,(H,18,19,23)
InChIKeyCJMMUVSXXSPRFG-UHFFFAOYSA-N
XLogP2.15
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-tert-butyl-5-(4-oxooxolan-2-yl)pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-[1-tert-butyl-5-(4-oxooxolan-2-yl)pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 164880036) is N-[1-tert-butyl-5-(4-oxooxolan-2-yl)pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[1-tert-butyl-5-(4-oxooxolan-2-yl)pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-[1-tert-butyl-5-(4-oxooxolan-2-yl)pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(CC(=O)Nc2cc(C3CC(=O)CO3)n(C(C)(C)C)n2)on1.
What is the InChIKey of N-[1-tert-butyl-5-(4-oxooxolan-2-yl)pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is CJMMUVSXXSPRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-10-5-12(25-20-10)7-16(23)18-15-8-13(14-6-11(22)9-24-14)21(19-15)17(2,3)4/h5,8,14H,6-7,9H2,1-4H3,(H,18,19,23).
What are the key properties of N-[1-tert-butyl-5-(4-oxooxolan-2-yl)pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
N-[1-tert-butyl-5-(4-oxooxolan-2-yl)pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 346.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-tert-butyl-5-(4-oxooxolan-2-yl)pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 164880036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).