3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C6H10N2O2 — CID 67046199

IUPAC3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1=NOC(C(N)=O)C1C
InChIInChI=1S/C6H10N2O2/c1-3-4(2)8-10-5(3)6(7)9/h3,5H,1-2H3,(H2,7,9)
InChIKeyWTNNIBQFEXNDQZ-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.12
Rot. Bonds1

About 3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide

3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 67046199) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID67046199
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1=NOC(C(N)=O)C1C
InChIInChI=1S/C6H10N2O2/c1-3-4(2)8-10-5(3)6(7)9/h3,5H,1-2H3,(H2,7,9)
InChIKeyWTNNIBQFEXNDQZ-UHFFFAOYSA-N
XLogP-0.12
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 67046199) is 3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide is CC1=NOC(C(N)=O)C1C.
What is the InChIKey of 3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is WTNNIBQFEXNDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-3-4(2)8-10-5(3)6(7)9/h3,5H,1-2H3,(H2,7,9).
What are the key properties of 3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 142.16 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 67046199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).