(3-bromo-1-methylpyrazol-4-yl)-(5-ethyl-1,2-oxazol-3-yl)methanone

C10H10BrN3O2 — CID 164719474

IUPAC(3-bromo-1-methylpyrazol-4-yl)-(5-ethyl-1,2-oxazol-3-yl)methanone
SMILESCCc1cc(C(=O)c2cn(C)nc2Br)no1
InChIInChI=1S/C10H10BrN3O2/c1-3-6-4-8(13-16-6)9(15)7-5-14(2)12-10(7)11/h4-5H,3H2,1-2H3
InChIKeyVVALPHXQNJMEBG-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.96
Rot. Bonds3

About (3-bromo-1-methylpyrazol-4-yl)-(5-ethyl-1,2-oxazol-3-yl)methanone

(3-bromo-1-methylpyrazol-4-yl)-(5-ethyl-1,2-oxazol-3-yl)methanone (PubChem CID 164719474) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is (3-bromo-1-methylpyrazol-4-yl)-(5-ethyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-1-methylpyrazol-4-yl)-(5-ethyl-1,2-oxazol-3-yl)methanone
PubChem CID164719474
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name(3-bromo-1-methylpyrazol-4-yl)-(5-ethyl-1,2-oxazol-3-yl)methanone
SMILESCCc1cc(C(=O)c2cn(C)nc2Br)no1
InChIInChI=1S/C10H10BrN3O2/c1-3-6-4-8(13-16-6)9(15)7-5-14(2)12-10(7)11/h4-5H,3H2,1-2H3
InChIKeyVVALPHXQNJMEBG-UHFFFAOYSA-N
XLogP1.96
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-(5-ethyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-(5-ethyl-1,2-oxazol-3-yl)methanone (CID 164719474) is (3-bromo-1-methylpyrazol-4-yl)-(5-ethyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (3-bromo-1-methylpyrazol-4-yl)-(5-ethyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (3-bromo-1-methylpyrazol-4-yl)-(5-ethyl-1,2-oxazol-3-yl)methanone is CCc1cc(C(=O)c2cn(C)nc2Br)no1.
What is the InChIKey of (3-bromo-1-methylpyrazol-4-yl)-(5-ethyl-1,2-oxazol-3-yl)methanone?
The InChIKey is VVALPHXQNJMEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-3-6-4-8(13-16-6)9(15)7-5-14(2)12-10(7)11/h4-5H,3H2,1-2H3.
What are the key properties of (3-bromo-1-methylpyrazol-4-yl)-(5-ethyl-1,2-oxazol-3-yl)methanone?
(3-bromo-1-methylpyrazol-4-yl)-(5-ethyl-1,2-oxazol-3-yl)methanone has a molecular weight of 284.11 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1-methylpyrazol-4-yl)-(5-ethyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 164719474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).