2-(2-chloroethyl)-5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole

C10H12ClN3O — CID 102802514

IUPAC2-(2-chloroethyl)-5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole
SMILESCc1nn(C)cc1-c1cnc(CCCl)o1
InChIInChI=1S/C10H12ClN3O/c1-7-8(6-14(2)13-7)9-5-12-10(15-9)3-4-11/h5-6H,3-4H2,1-2H3
InChIKeyXQIUSSCXGBBWBH-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.16
Rot. Bonds3

About 2-(2-chloroethyl)-5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole

2-(2-chloroethyl)-5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole (PubChem CID 102802514) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole
PubChem CID102802514
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name2-(2-chloroethyl)-5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole
SMILESCc1nn(C)cc1-c1cnc(CCCl)o1
InChIInChI=1S/C10H12ClN3O/c1-7-8(6-14(2)13-7)9-5-12-10(15-9)3-4-11/h5-6H,3-4H2,1-2H3
InChIKeyXQIUSSCXGBBWBH-UHFFFAOYSA-N
XLogP2.16
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propanoic acid
CID 65196994
5-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-1,3-oxazole
CID 65180226
2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3-oxazole
CID 65179613
2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
CID 102811468
2-(2-chloroethyl)-5-(4-chloro-2-fluorophenyl)-1,3-oxazole
CID 65179480
2-(3-chloropropyl)-5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole
CID 66127379
2-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole
CID 43144322
[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]methanol
CID 83094498
2-(1,3-dimethylpyrazol-4-yl)-5-propyl-1,3,4-oxadiazole
CID 170382996
2-(2-chloroethyl)-5-(2,5-difluoro-3-nitrophenyl)-1,3-oxazole
CID 107123771
2-(2-chloroethyl)-5-propan-2-yl-1,3-oxazole
CID 65180225
2-(2-chloroethyl)-5-[4-(2-methylpropyl)phenyl]-1,3-oxazole
CID 43144307

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole?
The IUPAC name of 2-(2-chloroethyl)-5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole (CID 102802514) is 2-(2-chloroethyl)-5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole is Cc1nn(C)cc1-c1cnc(CCCl)o1.
What is the InChIKey of 2-(2-chloroethyl)-5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole?
The InChIKey is XQIUSSCXGBBWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-7-8(6-14(2)13-7)9-5-12-10(15-9)3-4-11/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole?
2-(2-chloroethyl)-5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole has a molecular weight of 225.68 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole is sourced from PubChem (CID 102802514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).