3-(1-benzylpyrazol-4-yl)-5-chloro-1,2-oxazole

C13H10ClN3O — CID 131071463

IUPAC3-(1-benzylpyrazol-4-yl)-5-chloro-1,2-oxazole
SMILESClc1cc(-c2cnn(Cc3ccccc3)c2)no1
InChIInChI=1S/C13H10ClN3O/c14-13-6-12(16-18-13)11-7-15-17(9-11)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyPTARXDIFGZLDFE-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.24
Rot. Bonds3

About 3-(1-benzylpyrazol-4-yl)-5-chloro-1,2-oxazole

3-(1-benzylpyrazol-4-yl)-5-chloro-1,2-oxazole (PubChem CID 131071463) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 3-(1-benzylpyrazol-4-yl)-5-chloro-1,2-oxazole.

Molecular Properties

Compound Name3-(1-benzylpyrazol-4-yl)-5-chloro-1,2-oxazole
PubChem CID131071463
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name3-(1-benzylpyrazol-4-yl)-5-chloro-1,2-oxazole
SMILESClc1cc(-c2cnn(Cc3ccccc3)c2)no1
InChIInChI=1S/C13H10ClN3O/c14-13-6-12(16-18-13)11-7-15-17(9-11)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyPTARXDIFGZLDFE-UHFFFAOYSA-N
XLogP3.24
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzylpyrazol-4-yl)aniline
CID 63338467
1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole
CID 47012747
4-(1-benzylpyrazol-4-yl)imidazole-1,5-diamine
CID 131010627
1-[5-(1-benzylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867235
4-(1-benzylpyrazol-4-yl)-2-chloro-5-fluorophenol
CID 138381254
5-(1-benzylpyrazol-4-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959479
N-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine
CID 62771701
[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]boronic acid
CID 62770459
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine
CID 135567465
5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one
CID 135355148
1-[(3-chlorophenyl)methyl]-4-(3-iodophenyl)pyrazole
CID 79787414

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpyrazol-4-yl)-5-chloro-1,2-oxazole?
The IUPAC name of 3-(1-benzylpyrazol-4-yl)-5-chloro-1,2-oxazole (CID 131071463) is 3-(1-benzylpyrazol-4-yl)-5-chloro-1,2-oxazole.
What is the SMILES notation for 3-(1-benzylpyrazol-4-yl)-5-chloro-1,2-oxazole?
The canonical SMILES for 3-(1-benzylpyrazol-4-yl)-5-chloro-1,2-oxazole is Clc1cc(-c2cnn(Cc3ccccc3)c2)no1.
What is the InChIKey of 3-(1-benzylpyrazol-4-yl)-5-chloro-1,2-oxazole?
The InChIKey is PTARXDIFGZLDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c14-13-6-12(16-18-13)11-7-15-17(9-11)8-10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of 3-(1-benzylpyrazol-4-yl)-5-chloro-1,2-oxazole?
3-(1-benzylpyrazol-4-yl)-5-chloro-1,2-oxazole has a molecular weight of 259.70 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrazol-4-yl)-5-chloro-1,2-oxazole is sourced from PubChem (CID 131071463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).