3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide

C16H19N3O3 — CID 109056093

IUPAC3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
SMILESCc1cc(NC(=O)c2cccc(C(=O)NC(C)(C)C)c2)no1
InChIInChI=1S/C16H19N3O3/c1-10-8-13(19-22-10)17-14(20)11-6-5-7-12(9-11)15(21)18-16(2,3)4/h5-9H,1-4H3,(H,18,21)(H,17,19,20)
InChIKeyJBDPOIJZWAVOCJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.76
Rot. Bonds3

About 3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide

3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide (PubChem CID 109056093) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
PubChem CID109056093
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
SMILESCc1cc(NC(=O)c2cccc(C(=O)NC(C)(C)C)c2)no1
InChIInChI=1S/C16H19N3O3/c1-10-8-13(19-22-10)17-14(20)11-6-5-7-12(9-11)15(21)18-16(2,3)4/h5-9H,1-4H3,(H,18,21)(H,17,19,20)
InChIKeyJBDPOIJZWAVOCJ-UHFFFAOYSA-N
XLogP2.76
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050664
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109051241
N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
CID 872142
1-N-(3-methoxyphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109057638
1-N-(4-ethoxyphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109057672
1-N-(3-methoxypropyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109052820
3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109055991
3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109055998
6-(tert-butylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide
CID 109124832
N-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide
CID 84552661
N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 71689923

Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide (CID 109056093) is 3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide is Cc1cc(NC(=O)c2cccc(C(=O)NC(C)(C)C)c2)no1.
What is the InChIKey of 3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide?
The InChIKey is JBDPOIJZWAVOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-8-13(19-22-10)17-14(20)11-6-5-7-12(9-11)15(21)18-16(2,3)4/h5-9H,1-4H3,(H,18,21)(H,17,19,20).
What are the key properties of 3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide?
3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109056093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).