N-(5-methyl-2-phenylpyrazol-3-yl)-5-propyl-1,2-oxazole-3-carboxamide

C17H18N4O2 — CID 5307142

IUPACN-(5-methyl-2-phenylpyrazol-3-yl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2cc(C)nn2-c2ccccc2)no1
InChIInChI=1S/C17H18N4O2/c1-3-7-14-11-15(20-23-14)17(22)18-16-10-12(2)19-21(16)13-8-5-4-6-9-13/h4-6,8-11H,3,7H2,1-2H3,(H,18,22)
InChIKeyXBDBHARXZFENGV-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.37
Rot. Bonds5

About N-(5-methyl-2-phenylpyrazol-3-yl)-5-propyl-1,2-oxazole-3-carboxamide

N-(5-methyl-2-phenylpyrazol-3-yl)-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 5307142) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(5-methyl-2-phenylpyrazol-3-yl)-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-phenylpyrazol-3-yl)-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID5307142
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(5-methyl-2-phenylpyrazol-3-yl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2cc(C)nn2-c2ccccc2)no1
InChIInChI=1S/C17H18N4O2/c1-3-7-14-11-15(20-23-14)17(22)18-16-10-12(2)19-21(16)13-8-5-4-6-9-13/h4-6,8-11H,3,7H2,1-2H3,(H,18,22)
InChIKeyXBDBHARXZFENGV-UHFFFAOYSA-N
XLogP3.37
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)-5-propyl-1,2-oxazole-3-carboxamide (CID 5307142) is N-(5-methyl-2-phenylpyrazol-3-yl)-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-methyl-2-phenylpyrazol-3-yl)-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-methyl-2-phenylpyrazol-3-yl)-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)Nc2cc(C)nn2-c2ccccc2)no1.
What is the InChIKey of N-(5-methyl-2-phenylpyrazol-3-yl)-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is XBDBHARXZFENGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-7-14-11-15(20-23-14)17(22)18-16-10-12(2)19-21(16)13-8-5-4-6-9-13/h4-6,8-11H,3,7H2,1-2H3,(H,18,22).
What are the key properties of N-(5-methyl-2-phenylpyrazol-3-yl)-5-propyl-1,2-oxazole-3-carboxamide?
N-(5-methyl-2-phenylpyrazol-3-yl)-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-phenylpyrazol-3-yl)-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5307142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).