N-(5-tert-butyl-1,2-oxazol-3-yl)-2,3-dimethoxybenzamide

C16H20N2O4 — CID 35281552

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(C(C)(C)C)on2)c1OC
InChIInChI=1S/C16H20N2O4/c1-16(2,3)12-9-13(18-22-12)17-15(19)10-7-6-8-11(20-4)14(10)21-5/h6-9H,1-5H3,(H,17,18,19)
InChIKeyVYSYNSAYAGTHEI-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.24
Rot. Bonds4

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2,3-dimethoxybenzamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2,3-dimethoxybenzamide (PubChem CID 35281552) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2,3-dimethoxybenzamide
PubChem CID35281552
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(C(C)(C)C)on2)c1OC
InChIInChI=1S/C16H20N2O4/c1-16(2,3)12-9-13(18-22-12)17-15(19)10-7-6-8-11(20-4)14(10)21-5/h6-9H,1-5H3,(H,17,18,19)
InChIKeyVYSYNSAYAGTHEI-UHFFFAOYSA-N
XLogP3.24
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-methoxyphenyl)acetamide
CID 17087461
2,6-dimethoxy-N-[5-(3-methylpentan-3-yl)-1,2-oxazol-3-yl]benzamide
CID 13239379
N-(5-bromo-2-pyridinyl)-2,3-dimethoxybenzamide
CID 23931504
N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dimethoxybenzamide
CID 134008779
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide
CID 17173901
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
CID 143053328
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
N-(5-tert-butyl-1,2-oxazol-3-yl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 156586272
N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 59813417
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3705058
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2,3-dimethoxybenzamide (CID 35281552) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2cc(C(C)(C)C)on2)c1OC.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2,3-dimethoxybenzamide?
The InChIKey is VYSYNSAYAGTHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-16(2,3)12-9-13(18-22-12)17-15(19)10-7-6-8-11(20-4)14(10)21-5/h6-9H,1-5H3,(H,17,18,19).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2,3-dimethoxybenzamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2,3-dimethoxybenzamide has a molecular weight of 304.35 g/mol, XLogP of 3.24, 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)-2,3-dimethoxybenzamide is sourced from PubChem (CID 35281552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).