N-ethyl-N,3-dimethyl-1,2-oxazole-5-carboxamide

C8H12N2O2 — CID 126989856

IUPACN-ethyl-N,3-dimethyl-1,2-oxazole-5-carboxamide
SMILESCCN(C)C(=O)c1cc(C)no1
InChIInChI=1S/C8H12N2O2/c1-4-10(3)8(11)7-5-6(2)9-12-7/h5H,4H2,1-3H3
InChIKeyHBMWMFDMUKPGMD-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.07
Rot. Bonds2

About N-ethyl-N,3-dimethyl-1,2-oxazole-5-carboxamide

N-ethyl-N,3-dimethyl-1,2-oxazole-5-carboxamide (PubChem CID 126989856) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-ethyl-N,3-dimethyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N,3-dimethyl-1,2-oxazole-5-carboxamide
PubChem CID126989856
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-ethyl-N,3-dimethyl-1,2-oxazole-5-carboxamide
SMILESCCN(C)C(=O)c1cc(C)no1
InChIInChI=1S/C8H12N2O2/c1-4-10(3)8(11)7-5-6(2)9-12-7/h5H,4H2,1-3H3
InChIKeyHBMWMFDMUKPGMD-UHFFFAOYSA-N
XLogP1.07
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N,5-dimethyl-3-isoxazolecarboxamide
CID 2814457
methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate
CID 2747412
N,N-dicyclohexyl-5-methylisoxazole-3-carboxamide
CID 3245758
3-Methyl-N-propylisoxazole-5-carboxamide
CID 9551512
3-methyl-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 3245069
(2,6-Dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 4231415
4-Methyl-1-[(3-methylisoxazol-5-yl)carbonyl]piperidine
CID 16193762
N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide
CID 16194128
3,7-Diazabicyclo[3.3.1]nonan-3-yl-(3-methyl-1,2-oxazol-5-yl)methanone
CID 59268916
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methyl-1,2-oxazol-5-yl)methanone
CID 59268946
N-cyclopentyl-3-methylisoxazole-5-carboxamide
CID 5308964
Ethyl 4-[(3-methylisoxazol-5-yl)carbonyl]piperazinecarboxylate
CID 5307813

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,3-dimethyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-ethyl-N,3-dimethyl-1,2-oxazole-5-carboxamide (CID 126989856) is N-ethyl-N,3-dimethyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N,3-dimethyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-ethyl-N,3-dimethyl-1,2-oxazole-5-carboxamide is CCN(C)C(=O)c1cc(C)no1.
What is the InChIKey of N-ethyl-N,3-dimethyl-1,2-oxazole-5-carboxamide?
The InChIKey is HBMWMFDMUKPGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-10(3)8(11)7-5-6(2)9-12-7/h5H,4H2,1-3H3.
What are the key properties of N-ethyl-N,3-dimethyl-1,2-oxazole-5-carboxamide?
N-ethyl-N,3-dimethyl-1,2-oxazole-5-carboxamide has a molecular weight of 168.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,3-dimethyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 126989856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).