(4-chlorophenyl)-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone

C17H16ClN3O2 — CID 67990179

IUPAC(4-chlorophenyl)-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone
SMILESCCc1onc(C)c1-c1cn(C)nc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c1-4-14-15(10(2)20-23-14)13-9-21(3)19-16(13)17(22)11-5-7-12(18)8-6-11/h5-9H,4H2,1-3H3
InChIKeyYINQRKHHMGYFKU-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.83
Rot. Bonds4

About (4-chlorophenyl)-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone

(4-chlorophenyl)-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone (PubChem CID 67990179) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone
PubChem CID67990179
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name(4-chlorophenyl)-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone
SMILESCCc1onc(C)c1-c1cn(C)nc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c1-4-14-15(10(2)20-23-14)13-9-21(3)19-16(13)17(22)11-5-7-12(18)8-6-11/h5-9H,4H2,1-3H3
InChIKeyYINQRKHHMGYFKU-UHFFFAOYSA-N
XLogP3.83
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone (CID 67990179) is (4-chlorophenyl)-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone is CCc1onc(C)c1-c1cn(C)nc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone?
The InChIKey is YINQRKHHMGYFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-4-14-15(10(2)20-23-14)13-9-21(3)19-16(13)17(22)11-5-7-12(18)8-6-11/h5-9H,4H2,1-3H3.
What are the key properties of (4-chlorophenyl)-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone?
(4-chlorophenyl)-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone has a molecular weight of 329.79 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-methylpyrazol-3-yl]methanone is sourced from PubChem (CID 67990179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).