5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-4-carboxamide

C11H14N4O2 — CID 113433770

IUPAC5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C11H14N4O2/c1-6(2)9-4-10(15-14-9)13-11(16)8-5-12-17-7(8)3/h4-6H,1-3H3,(H2,13,14,15,16)
InChIKeySUQCLGJJBXXLMB-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.08
Rot. Bonds3

About 5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-4-carboxamide

5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-4-carboxamide (PubChem CID 113433770) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-4-carboxamide
PubChem CID113433770
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C11H14N4O2/c1-6(2)9-4-10(15-14-9)13-11(16)8-5-12-17-7(8)3/h4-6H,1-3H3,(H2,13,14,15,16)
InChIKeySUQCLGJJBXXLMB-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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Related Compounds

2,4,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-3-carboxamide
CID 112689360
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CID 47404997
2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404950
5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 1477707
2-bromo-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 113339737
2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 104616261
3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide
CID 47404893
2-methyl-5-methylsulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115610359
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 104616320
6-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide
CID 103543383
4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404888

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-4-carboxamide (CID 113433770) is 5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1cc(C(C)C)[nH]n1.
What is the InChIKey of 5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is SUQCLGJJBXXLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-6(2)9-4-10(15-14-9)13-11(16)8-5-12-17-7(8)3/h4-6H,1-3H3,(H2,13,14,15,16).
What are the key properties of 5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-4-carboxamide?
5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-4-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 5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 113433770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).