N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

C16H24N4O2 — CID 156584218

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)Nc2cc(C(C)(C)C)on2)c(C)c1C
InChIInChI=1S/C16H24N4O2/c1-10-11(2)18-20(12(10)3)8-7-15(21)17-14-9-13(22-19-14)16(4,5)6/h9H,7-8H2,1-6H3,(H,17,19,21)
InChIKeyYCBFPWLEEUDREM-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.12
Rot. Bonds4

About N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (PubChem CID 156584218) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
PubChem CID156584218
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)Nc2cc(C(C)(C)C)on2)c(C)c1C
InChIInChI=1S/C16H24N4O2/c1-10-11(2)18-20(12(10)3)8-7-15(21)17-14-9-13(22-19-14)16(4,5)6/h9H,7-8H2,1-6H3,(H,17,19,21)
InChIKeyYCBFPWLEEUDREM-UHFFFAOYSA-N
XLogP3.12
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (CID 156584218) is N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is Cc1nn(CCC(=O)Nc2cc(C(C)(C)C)on2)c(C)c1C.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The InChIKey is YCBFPWLEEUDREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-10-11(2)18-20(12(10)3)8-7-15(21)17-14-9-13(22-19-14)16(4,5)6/h9H,7-8H2,1-6H3,(H,17,19,21).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide has a molecular weight of 304.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 156584218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).