(5-tert-butyl-1,3-oxazol-2-yl)methyl 3-(methylcarbamoyl)benzoate

C17H20N2O4 — CID 71985728

IUPAC(5-tert-butyl-1,3-oxazol-2-yl)methyl 3-(methylcarbamoyl)benzoate
SMILESCNC(=O)c1cccc(C(=O)OCc2ncc(C(C)(C)C)o2)c1
InChIInChI=1S/C17H20N2O4/c1-17(2,3)13-9-19-14(23-13)10-22-16(21)12-7-5-6-11(8-12)15(20)18-4/h5-9H,10H2,1-4H3,(H,18,20)
InChIKeyLZNRYSQUNOHQHT-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.69
Rot. Bonds4

About (5-tert-butyl-1,3-oxazol-2-yl)methyl 3-(methylcarbamoyl)benzoate

(5-tert-butyl-1,3-oxazol-2-yl)methyl 3-(methylcarbamoyl)benzoate (PubChem CID 71985728) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is (5-tert-butyl-1,3-oxazol-2-yl)methyl 3-(methylcarbamoyl)benzoate.

Molecular Properties

Compound Name(5-tert-butyl-1,3-oxazol-2-yl)methyl 3-(methylcarbamoyl)benzoate
PubChem CID71985728
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name(5-tert-butyl-1,3-oxazol-2-yl)methyl 3-(methylcarbamoyl)benzoate
SMILESCNC(=O)c1cccc(C(=O)OCc2ncc(C(C)(C)C)o2)c1
InChIInChI=1S/C17H20N2O4/c1-17(2,3)13-9-19-14(23-13)10-22-16(21)12-7-5-6-11(8-12)15(20)18-4/h5-9H,10H2,1-4H3,(H,18,20)
InChIKeyLZNRYSQUNOHQHT-UHFFFAOYSA-N
XLogP2.69
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-tert-butyl-1,3-oxazol-2-yl)methyl imidazo[1,5-a]pyridine-7-carboxylate
CID 75483262
pyridin-3-ylmethyl 3-(methylcarbamoyl)benzoate
CID 75482196
furan-3-ylmethyl 3-(methylcarbamoyl)benzoate
CID 75375019
tert-butyl 3-(methylcarbamoyl)benzoate
CID 138647614
4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-N-methyl-3-nitrobenzamide
CID 133342155
(5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate
CID 7790163
but-3-ynyl 3-(methylcarbamoyl)benzoate
CID 71988249
(5-phenyl-1,3-oxazol-2-yl)methyl 3-iodobenzoate
CID 8011127
3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119630742
(5-phenyl-1,3-oxazol-2-yl)methyl 3-phenoxybenzoate
CID 16521994
(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]propanoic acid
CID 104876270
3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 111481283

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,3-oxazol-2-yl)methyl 3-(methylcarbamoyl)benzoate?
The IUPAC name of (5-tert-butyl-1,3-oxazol-2-yl)methyl 3-(methylcarbamoyl)benzoate (CID 71985728) is (5-tert-butyl-1,3-oxazol-2-yl)methyl 3-(methylcarbamoyl)benzoate.
What is the SMILES notation for (5-tert-butyl-1,3-oxazol-2-yl)methyl 3-(methylcarbamoyl)benzoate?
The canonical SMILES for (5-tert-butyl-1,3-oxazol-2-yl)methyl 3-(methylcarbamoyl)benzoate is CNC(=O)c1cccc(C(=O)OCc2ncc(C(C)(C)C)o2)c1.
What is the InChIKey of (5-tert-butyl-1,3-oxazol-2-yl)methyl 3-(methylcarbamoyl)benzoate?
The InChIKey is LZNRYSQUNOHQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-17(2,3)13-9-19-14(23-13)10-22-16(21)12-7-5-6-11(8-12)15(20)18-4/h5-9H,10H2,1-4H3,(H,18,20).
What are the key properties of (5-tert-butyl-1,3-oxazol-2-yl)methyl 3-(methylcarbamoyl)benzoate?
(5-tert-butyl-1,3-oxazol-2-yl)methyl 3-(methylcarbamoyl)benzoate has a molecular weight of 316.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,3-oxazol-2-yl)methyl 3-(methylcarbamoyl)benzoate is sourced from PubChem (CID 71985728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).