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

C9H14N2O2 — CID 67953791

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
SMILESCC(=O)Nc1cc(C(C)(C)C)no1
InChIInChI=1S/C9H14N2O2/c1-6(12)10-8-5-7(11-13-8)9(2,3)4/h5H,1-4H3,(H,10,12)
InChIKeyAJXKWFCVZURALD-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.93
Rot. Bonds1

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

N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide (PubChem CID 67953791) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
PubChem CID67953791
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
SMILESCC(=O)Nc1cc(C(C)(C)C)no1
InChIInChI=1S/C9H14N2O2/c1-6(12)10-8-5-7(11-13-8)9(2,3)4/h5H,1-4H3,(H,10,12)
InChIKeyAJXKWFCVZURALD-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]acetamide
CID 89393055
N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide
CID 155823225
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-tert-butylphenyl)urea
CID 59380959
(2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid
CID 104875003
2,2,2-trichloroethyl N-(3-tert-butyl-1,2-oxazol-5-yl)carbamate
CID 66728713
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonylacetamide
CID 51248804
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide
CID 59420457
2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81223074
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(2,4-dimethylphenyl)urea
CID 143051913
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 7603982
N-(3-tert-butyl-1,2-oxazol-5-yl)-6-chloropyridine-2-carboxamide
CID 62234760
4-bromo-N-(3-tert-butyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxamide
CID 60717492

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide (CID 67953791) is N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide is CC(=O)Nc1cc(C(C)(C)C)no1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is AJXKWFCVZURALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(12)10-8-5-7(11-13-8)9(2,3)4/h5H,1-4H3,(H,10,12).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 182.22 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 67953791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).