(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrazol-1-ylmethanone

C14H11N3O2 — CID 757862

IUPAC(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrazol-1-ylmethanone
SMILESCc1onc(-c2ccccc2)c1C(=O)n1cccn1
InChIInChI=1S/C14H11N3O2/c1-10-12(14(18)17-9-5-8-15-17)13(16-19-10)11-6-3-2-4-7-11/h2-9H,1H3
InChIKeyTUZZIPNMNHYTNL-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.54
Rot. Bonds2

About (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrazol-1-ylmethanone

(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrazol-1-ylmethanone (PubChem CID 757862) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrazol-1-ylmethanone
PubChem CID757862
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrazol-1-ylmethanone
SMILESCc1onc(-c2ccccc2)c1C(=O)n1cccn1
InChIInChI=1S/C14H11N3O2/c1-10-12(14(18)17-9-5-8-15-17)13(16-19-10)11-6-3-2-4-7-11/h2-9H,1H3
InChIKeyTUZZIPNMNHYTNL-UHFFFAOYSA-N
XLogP2.54
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrazol-1-ylmethanone?
The IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrazol-1-ylmethanone (CID 757862) is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrazol-1-ylmethanone?
The canonical SMILES for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrazol-1-ylmethanone is Cc1onc(-c2ccccc2)c1C(=O)n1cccn1.
What is the InChIKey of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrazol-1-ylmethanone?
The InChIKey is TUZZIPNMNHYTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-10-12(14(18)17-9-5-8-15-17)13(16-19-10)11-6-3-2-4-7-11/h2-9H,1H3.
What are the key properties of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrazol-1-ylmethanone?
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrazol-1-ylmethanone has a molecular weight of 253.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 757862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).