4-(1-ethyl-4-methylpyrazol-5-yl)-3-methyl-1,2-oxazole

C10H13N3O — CID 163535094

IUPAC4-(1-ethyl-4-methylpyrazol-5-yl)-3-methyl-1,2-oxazole
SMILESCCn1ncc(C)c1-c1conc1C
InChIInChI=1S/C10H13N3O/c1-4-13-10(7(2)5-11-13)9-6-14-12-8(9)3/h5-6H,4H2,1-3H3
InChIKeyDWGFXQMWGAZIQF-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.17
Rot. Bonds2

About 4-(1-ethyl-4-methylpyrazol-5-yl)-3-methyl-1,2-oxazole

4-(1-ethyl-4-methylpyrazol-5-yl)-3-methyl-1,2-oxazole (PubChem CID 163535094) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(1-ethyl-4-methylpyrazol-5-yl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-(1-ethyl-4-methylpyrazol-5-yl)-3-methyl-1,2-oxazole
PubChem CID163535094
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-(1-ethyl-4-methylpyrazol-5-yl)-3-methyl-1,2-oxazole
SMILESCCn1ncc(C)c1-c1conc1C
InChIInChI=1S/C10H13N3O/c1-4-13-10(7(2)5-11-13)9-6-14-12-8(9)3/h5-6H,4H2,1-3H3
InChIKeyDWGFXQMWGAZIQF-UHFFFAOYSA-N
XLogP2.17
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazol-5-yl)methanamine
CID 45602050
3-(1-Phenylpyrazol-4-yl)-1,2-oxazole
CID 114763655
4-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazole
CID 90976997
3-[2-[(2-Fluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole
CID 141336680
5-(1,5-dimethyl-1H-pyrazol-4-yl)isoxazole
CID 7016452
4-(1-Methylpyrazol-3-yl)-1,2-oxazole
CID 57746237
5-(1-Methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole
CID 58030269
3-(1-Methylpyrazol-4-yl)-5-propan-2-yl-1,2-oxazole
CID 68011301
5-(1,5-Dimethylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole
CID 68011302
5-(1-Methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole
CID 68011334
5-Methyl-3-(1-methylpyrazol-4-yl)-1,2-oxazole
CID 68019167
3-Methyl-5-(1-methylpyrazol-4-yl)-1,2-oxazole
CID 68019169

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-4-methylpyrazol-5-yl)-3-methyl-1,2-oxazole?
The IUPAC name of 4-(1-ethyl-4-methylpyrazol-5-yl)-3-methyl-1,2-oxazole (CID 163535094) is 4-(1-ethyl-4-methylpyrazol-5-yl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 4-(1-ethyl-4-methylpyrazol-5-yl)-3-methyl-1,2-oxazole?
The canonical SMILES for 4-(1-ethyl-4-methylpyrazol-5-yl)-3-methyl-1,2-oxazole is CCn1ncc(C)c1-c1conc1C.
What is the InChIKey of 4-(1-ethyl-4-methylpyrazol-5-yl)-3-methyl-1,2-oxazole?
The InChIKey is DWGFXQMWGAZIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-4-13-10(7(2)5-11-13)9-6-14-12-8(9)3/h5-6H,4H2,1-3H3.
What are the key properties of 4-(1-ethyl-4-methylpyrazol-5-yl)-3-methyl-1,2-oxazole?
4-(1-ethyl-4-methylpyrazol-5-yl)-3-methyl-1,2-oxazole has a molecular weight of 191.23 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-4-methylpyrazol-5-yl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 163535094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).