4-tert-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide

C15H18N2O2 — CID 670749

IUPAC4-tert-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C15H18N2O2/c1-10-9-13(17-19-10)16-14(18)11-5-7-12(8-6-11)15(2,3)4/h5-9H,1-4H3,(H,16,17,18)
InChIKeyXYPSVVKRIGYDLB-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.53
Rot. Bonds2

About 4-tert-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide

4-tert-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 670749) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-tert-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID670749
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-tert-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C15H18N2O2/c1-10-9-13(17-19-10)16-14(18)11-5-7-12(8-6-11)15(2,3)4/h5-9H,1-4H3,(H,16,17,18)
InChIKeyXYPSVVKRIGYDLB-UHFFFAOYSA-N
XLogP3.53
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 670749) is 4-tert-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)no1.
What is the InChIKey of 4-tert-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is XYPSVVKRIGYDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-9-13(17-19-10)16-14(18)11-5-7-12(8-6-11)15(2,3)4/h5-9H,1-4H3,(H,16,17,18).
What are the key properties of 4-tert-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
4-tert-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 258.32 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 670749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).