2-tert-butyl-N-methyl-1,3-oxazole-4-carboxamide

C9H14N2O2 — CID 170389069

IUPAC2-tert-butyl-N-methyl-1,3-oxazole-4-carboxamide
SMILESCNC(=O)c1coc(C(C)(C)C)n1
InChIInChI=1S/C9H14N2O2/c1-9(2,3)8-11-6(5-13-8)7(12)10-4/h5H,1-4H3,(H,10,12)
InChIKeyWCQTUECJTCWOND-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.33
Rot. Bonds1

About 2-tert-butyl-N-methyl-1,3-oxazole-4-carboxamide

2-tert-butyl-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 170389069) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-tert-butyl-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID170389069
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-tert-butyl-N-methyl-1,3-oxazole-4-carboxamide
SMILESCNC(=O)c1coc(C(C)(C)C)n1
InChIInChI=1S/C9H14N2O2/c1-9(2,3)8-11-6(5-13-8)7(12)10-4/h5H,1-4H3,(H,10,12)
InChIKeyWCQTUECJTCWOND-UHFFFAOYSA-N
XLogP1.33
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-dimethylpropylidene]tungsten
CID 171730053
[2-[2-(propan-2-ylamino)propan-2-yl]-1,3-oxazole-4-carbonyl]carbamic acid
CID 58745723
1-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]ethanone
CID 84766773
N-methyl-2-morpholin-4-yl-1,3-oxazole-4-carboxamide
CID 142501279
2-[(2,5-dimethylfuran-3-carbonyl)amino]-N-methyl-1,3-oxazole-4-carboxamide
CID 121111146
2-(2-cyclobutylpropan-2-yl)-1,3-oxazole-4-carboxylic acid
CID 131064781
2-tert-butyl-4-dimethoxyphosphoryl-1,3-oxazole
CID 155787831
N-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549834
2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid
CID 67424422
8-tert-butyl-N-methylquinoline-2-carboxamide
CID 155427304
2-tert-butyl-6-chloro-N-phenyl-1,3-benzoxazole-7-carboxamide
CID 102109299
N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol
CID 90101890

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-tert-butyl-N-methyl-1,3-oxazole-4-carboxamide (CID 170389069) is 2-tert-butyl-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-tert-butyl-N-methyl-1,3-oxazole-4-carboxamide is CNC(=O)c1coc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is WCQTUECJTCWOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(2,3)8-11-6(5-13-8)7(12)10-4/h5H,1-4H3,(H,10,12).
What are the key properties of 2-tert-butyl-N-methyl-1,3-oxazole-4-carboxamide?
2-tert-butyl-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170389069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).