5-tert-butyl-1,3-oxazole-2-carboxamide

C8H12N2O2 — CID 69412800

IUPAC5-tert-butyl-1,3-oxazole-2-carboxamide
SMILESCC(C)(C)c1cnc(C(N)=O)o1
InChIInChI=1S/C8H12N2O2/c1-8(2,3)5-4-10-7(12-5)6(9)11/h4H,1-3H3,(H2,9,11)
InChIKeyHXVRWEATINYOLE-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.07
Rot. Bonds1

About 5-tert-butyl-1,3-oxazole-2-carboxamide

5-tert-butyl-1,3-oxazole-2-carboxamide (PubChem CID 69412800) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-tert-butyl-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-1,3-oxazole-2-carboxamide
PubChem CID69412800
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-tert-butyl-1,3-oxazole-2-carboxamide
SMILESCC(C)(C)c1cnc(C(N)=O)o1
InChIInChI=1S/C8H12N2O2/c1-8(2,3)5-4-10-7(12-5)6(9)11/h4H,1-3H3,(H2,9,11)
InChIKeyHXVRWEATINYOLE-UHFFFAOYSA-N
XLogP1.07
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate
CID 11788834
5-(1,1-Dimethylethyl)-2-oxazolemethanol
CID 22731089
[5-(Propan-2-yl)-1,3-oxazol-2-yl]methanamine
CID 54594018
(5-Ethyl-1,3-oxazol-2-yl)methanamine
CID 65180193
2-(Bromomethyl)-5-tert-butyl-1,3-oxazole
CID 78961954
Potassium 5-tert-butyl-1,3-oxazole-2-carboxylate
CID 146081955
Lithium(1+)5-(propan-2-yl)-1,3-oxazole-2-carboxylate
CID 165821448
1-(5-Ethyloxazol-2-yl)-2,2,2-trifluoroethan-1-one
CID 168474942
5-Tert-butyl-2-methyl-1,3-oxazole
CID 12639617
2,5-Ditert-butyl-1,3-oxazole
CID 12639618
5-Tert-butyl-2-propan-2-yl-1,3-oxazole
CID 23571128
(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethylbutanamide
CID 71983339

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-tert-butyl-1,3-oxazole-2-carboxamide (CID 69412800) is 5-tert-butyl-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-tert-butyl-1,3-oxazole-2-carboxamide is CC(C)(C)c1cnc(C(N)=O)o1.
What is the InChIKey of 5-tert-butyl-1,3-oxazole-2-carboxamide?
The InChIKey is HXVRWEATINYOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(2,3)5-4-10-7(12-5)6(9)11/h4H,1-3H3,(H2,9,11).
What are the key properties of 5-tert-butyl-1,3-oxazole-2-carboxamide?
5-tert-butyl-1,3-oxazole-2-carboxamide has a molecular weight of 168.20 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 69412800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).