(4-bromopyrazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

C14H10BrN3O2 — CID 753182

IUPAC(4-bromopyrazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)n1cc(Br)cn1
InChIInChI=1S/C14H10BrN3O2/c1-9-12(14(19)18-8-11(15)7-16-18)13(17-20-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyKAQYAAQPJAQBKJ-UHFFFAOYSA-N
MW332.16 g/mol
LogP3.30
Rot. Bonds2

About (4-bromopyrazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

(4-bromopyrazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 753182) has the molecular formula C14H10BrN3O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is (4-bromopyrazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(4-bromopyrazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID753182
Molecular FormulaC14H10BrN3O2
Molecular Weight332.16 g/mol
Exact Mass331.00
IUPAC Name(4-bromopyrazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)n1cc(Br)cn1
InChIInChI=1S/C14H10BrN3O2/c1-9-12(14(19)18-8-11(15)7-16-18)13(17-20-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyKAQYAAQPJAQBKJ-UHFFFAOYSA-N
XLogP3.30
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-bromopyrazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of (4-bromopyrazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (CID 753182) is (4-bromopyrazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for (4-bromopyrazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for (4-bromopyrazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is Cc1onc(-c2ccccc2)c1C(=O)n1cc(Br)cn1.
What is the InChIKey of (4-bromopyrazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is KAQYAAQPJAQBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2/c1-9-12(14(19)18-8-11(15)7-16-18)13(17-20-9)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of (4-bromopyrazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
(4-bromopyrazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 332.16 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromopyrazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 753182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).