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

C10H13N3O — CID 65240027

IUPAC5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole
SMILESCCn1nc(C)c(-c2ccno2)c1C
InChIInChI=1S/C10H13N3O/c1-4-13-8(3)10(7(2)12-13)9-5-6-11-14-9/h5-6H,4H2,1-3H3
InChIKeyBBPGBTPDZUATFF-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.17
Rot. Bonds2

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

5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole (PubChem CID 65240027) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole
PubChem CID65240027
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole
SMILESCCn1nc(C)c(-c2ccno2)c1C
InChIInChI=1S/C10H13N3O/c1-4-13-8(3)10(7(2)12-13)9-5-6-11-14-9/h5-6H,4H2,1-3H3
InChIKeyBBPGBTPDZUATFF-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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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole?
The IUPAC name of 5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole (CID 65240027) is 5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole?
The canonical SMILES for 5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole is CCn1nc(C)c(-c2ccno2)c1C.
What is the InChIKey of 5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole?
The InChIKey is BBPGBTPDZUATFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-4-13-8(3)10(7(2)12-13)9-5-6-11-14-9/h5-6H,4H2,1-3H3.
What are the key properties of 5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole?
5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-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 5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 65240027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).