3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide

C11H14N4O2 — CID 47404905

IUPAC3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(C)C)[nH]n2)on1
InChIInChI=1S/C11H14N4O2/c1-6(2)8-5-10(14-13-8)12-11(16)9-4-7(3)15-17-9/h4-6H,1-3H3,(H2,12,13,14,16)
InChIKeyIPJZEEWVBKXMAV-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.08
Rot. Bonds3

About 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide

3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide (PubChem CID 47404905) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide
PubChem CID47404905
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(C)C)[nH]n2)on1
InChIInChI=1S/C11H14N4O2/c1-6(2)8-5-10(14-13-8)12-11(16)9-4-7(3)15-17-9/h4-6H,1-3H3,(H2,12,13,14,16)
InChIKeyIPJZEEWVBKXMAV-UHFFFAOYSA-N
XLogP2.08
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide (CID 47404905) is 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2cc(C(C)C)[nH]n2)on1.
What is the InChIKey of 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is IPJZEEWVBKXMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-6(2)8-5-10(14-13-8)12-11(16)9-4-7(3)15-17-9/h4-6H,1-3H3,(H2,12,13,14,16).
What are the key properties of 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide?
3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 234.26 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 47404905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).