2-(1-methyl-3-phenylpyrazol-4-yl)-1,3-oxazole

C13H11N3O — CID 21050971

IUPAC2-(1-methyl-3-phenylpyrazol-4-yl)-1,3-oxazole
SMILESCn1cc(-c2ncco2)c(-c2ccccc2)n1
InChIInChI=1S/C13H11N3O/c1-16-9-11(13-14-7-8-17-13)12(15-16)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyBMNNCOPXRCSLPA-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.74
Rot. Bonds2

About 2-(1-methyl-3-phenylpyrazol-4-yl)-1,3-oxazole

2-(1-methyl-3-phenylpyrazol-4-yl)-1,3-oxazole (PubChem CID 21050971) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(1-methyl-3-phenylpyrazol-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(1-methyl-3-phenylpyrazol-4-yl)-1,3-oxazole
PubChem CID21050971
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-(1-methyl-3-phenylpyrazol-4-yl)-1,3-oxazole
SMILESCn1cc(-c2ncco2)c(-c2ccccc2)n1
InChIInChI=1S/C13H11N3O/c1-16-9-11(13-14-7-8-17-13)12(15-16)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyBMNNCOPXRCSLPA-UHFFFAOYSA-N
XLogP2.74
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyl-3-phenylpyrazol-4-yl)-1,3-oxazole;nitromethane
CID 91208762
4-(1-methyl-4-phenylpyrazol-3-yl)pyridine
CID 20716425
2-phenyl-1,3-oxazole;zinc
CID 175242530
5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 166210227
3-phenyl-1,4-oxazin-2-one
CID 135005028
2-(5,6-diphenyl-1,2,4-triazin-3-yl)-1,3-oxazole
CID 71374228
1-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)benzimidazole
CID 8005690
benzaldehyde;2-phenyl-1,3-oxazole
CID 157335957
CID 173358954
CID 173358954
4-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine
CID 22037207
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine
CID 155401195
ethane;2-(2-nitrophenyl)-1,3-oxazole
CID 91192753

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3-phenylpyrazol-4-yl)-1,3-oxazole?
The IUPAC name of 2-(1-methyl-3-phenylpyrazol-4-yl)-1,3-oxazole (CID 21050971) is 2-(1-methyl-3-phenylpyrazol-4-yl)-1,3-oxazole.
What is the SMILES notation for 2-(1-methyl-3-phenylpyrazol-4-yl)-1,3-oxazole?
The canonical SMILES for 2-(1-methyl-3-phenylpyrazol-4-yl)-1,3-oxazole is Cn1cc(-c2ncco2)c(-c2ccccc2)n1.
What is the InChIKey of 2-(1-methyl-3-phenylpyrazol-4-yl)-1,3-oxazole?
The InChIKey is BMNNCOPXRCSLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-16-9-11(13-14-7-8-17-13)12(15-16)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 2-(1-methyl-3-phenylpyrazol-4-yl)-1,3-oxazole?
2-(1-methyl-3-phenylpyrazol-4-yl)-1,3-oxazole has a molecular weight of 225.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-phenylpyrazol-4-yl)-1,3-oxazole is sourced from PubChem (CID 21050971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).