N-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide

C13H16N2O3 — CID 110683308

IUPACN-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCn1c(=O)oc2ccc(C(=O)NC(C)(C)C)cc21
InChIInChI=1S/C13H16N2O3/c1-13(2,3)14-11(16)8-5-6-10-9(7-8)15(4)12(17)18-10/h5-7H,1-4H3,(H,14,16)
InChIKeyKNCXJGASNRHBFG-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.66
Rot. Bonds1

About N-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide

N-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide (PubChem CID 110683308) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
PubChem CID110683308
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCn1c(=O)oc2ccc(C(=O)NC(C)(C)C)cc21
InChIInChI=1S/C13H16N2O3/c1-13(2,3)14-11(16)8-5-6-10-9(7-8)15(4)12(17)18-10/h5-7H,1-4H3,(H,14,16)
InChIKeyKNCXJGASNRHBFG-UHFFFAOYSA-N
XLogP1.66
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',3-dimethyl-2-oxo-1,3-benzoxazole-5-carbohydrazide
CID 116846930
3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 82491054
N-tert-butyl-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
CID 110765410
N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067173
N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683274
1-tert-butyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]urea
CID 110775584
3-methyl-5-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one
CID 82493952
3-methyl-5-[3-(methylamino)propanoyl]-1,3-benzoxazol-2-one
CID 82496255
N-(3-chloro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683329
3-methyl-5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-one
CID 110683258
5-(3-chloropropanoyl)-3-methyl-1,3-benzoxazol-2-one
CID 116917882
methyl 2-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate
CID 110683348

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide (CID 110683308) is N-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide is Cn1c(=O)oc2ccc(C(=O)NC(C)(C)C)cc21.
What is the InChIKey of N-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The InChIKey is KNCXJGASNRHBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-13(2,3)14-11(16)8-5-6-10-9(7-8)15(4)12(17)18-10/h5-7H,1-4H3,(H,14,16).
What are the key properties of N-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
N-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 110683308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).