N-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide

C17H18N4O2 — CID 118716754

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2cc(-c3ccccc3)n[nH]2)no1
InChIInChI=1S/C17H18N4O2/c1-17(2,3)14-10-15(21-23-14)18-16(22)13-9-12(19-20-13)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,19,20)(H,18,21,22)
InChIKeySJAGIJDGDSHQLR-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.61
Rot. Bonds3

About N-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 118716754) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID118716754
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2cc(-c3ccccc3)n[nH]2)no1
InChIInChI=1S/C17H18N4O2/c1-17(2,3)14-10-15(21-23-14)18-16(22)13-9-12(19-20-13)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,19,20)(H,18,21,22)
InChIKeySJAGIJDGDSHQLR-UHFFFAOYSA-N
XLogP3.61
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide (CID 118716754) is N-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide is CC(C)(C)c1cc(NC(=O)c2cc(-c3ccccc3)n[nH]2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is SJAGIJDGDSHQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-17(2,3)14-10-15(21-23-14)18-16(22)13-9-12(19-20-13)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,19,20)(H,18,21,22).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118716754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).