N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,2-oxazole-5-carboxamide

C12H16N4O2 — CID 3734055

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)-1,2-oxazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)c1ccno1
InChIInChI=1S/C12H16N4O2/c1-12(2,3)9-7-10(16(4)15-9)14-11(17)8-5-6-13-18-8/h5-7H,1-4H3,(H,14,17)
InChIKeyYNPDSLORNLAKSC-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.96
Rot. Bonds2

About N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,2-oxazole-5-carboxamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,2-oxazole-5-carboxamide (PubChem CID 3734055) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-1,2-oxazole-5-carboxamide
PubChem CID3734055
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-1,2-oxazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)c1ccno1
InChIInChI=1S/C12H16N4O2/c1-12(2,3)9-7-10(16(4)15-9)14-11(17)8-5-6-13-18-8/h5-7H,1-4H3,(H,14,17)
InChIKeyYNPDSLORNLAKSC-UHFFFAOYSA-N
XLogP1.96
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,2-oxazole-5-carboxamide (CID 3734055) is N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,2-oxazole-5-carboxamide is Cn1nc(C(C)(C)C)cc1NC(=O)c1ccno1.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is YNPDSLORNLAKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-12(2,3)9-7-10(16(4)15-9)14-11(17)8-5-6-13-18-8/h5-7H,1-4H3,(H,14,17).
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,2-oxazole-5-carboxamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3734055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).