4-benzyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole

C20H17N3O — CID 163305240

IUPAC4-benzyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole
SMILESc1ccc(Cc2ncoc2-c2cccc(Cn3cccn3)c2)cc1
InChIInChI=1S/C20H17N3O/c1-2-6-16(7-3-1)13-19-20(24-15-21-19)18-9-4-8-17(12-18)14-23-11-5-10-22-23/h1-12,15H,13-14H2
InChIKeyCMQRRLYZGKMSNZ-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.18
Rot. Bonds5

About 4-benzyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole

4-benzyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole (PubChem CID 163305240) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-benzyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-benzyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole
PubChem CID163305240
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name4-benzyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole
SMILESc1ccc(Cc2ncoc2-c2cccc(Cn3cccn3)c2)cc1
InChIInChI=1S/C20H17N3O/c1-2-6-16(7-3-1)13-19-20(24-15-21-19)18-9-4-8-17(12-18)14-23-11-5-10-22-23/h1-12,15H,13-14H2
InChIKeyCMQRRLYZGKMSNZ-UHFFFAOYSA-N
XLogP4.18
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole
CID 163305968
2-[3-(pyrazol-1-ylmethyl)phenyl]acetaldehyde
CID 123588781
3-[3-(pyrazol-1-ylmethyl)phenyl]benzoic acid
CID 142326100
3-[3-(4-benzyl-1,3-oxazol-5-yl)phenoxy]-N,N-dimethylpropan-1-amine
CID 163310411
N-(5-benzyl-1,3-thiazol-2-yl)-3-(pyrazol-1-ylmethyl)benzamide
CID 46971236
1-[5-(4-benzyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine
CID 163307292
4-benzyl-5-(2-ethyl-1,2,4-triazol-3-yl)-1,3-oxazole
CID 163311032
trimethyl-[3-(pyrazol-1-ylmethyl)phenyl]silane
CID 141433506
3-(pyrazol-1-ylmethyl)phenol
CID 24745197
1-benzyl-2-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 110955028
1-[[3-(3-phenylpropoxy)phenyl]methyl]pyrazole
CID 141063821
2-[3-(pyrazol-1-ylmethyl)phenyl]-3H-quinazolin-4-one
CID 168550950

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole?
The IUPAC name of 4-benzyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole (CID 163305240) is 4-benzyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 4-benzyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 4-benzyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole is c1ccc(Cc2ncoc2-c2cccc(Cn3cccn3)c2)cc1.
What is the InChIKey of 4-benzyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole?
The InChIKey is CMQRRLYZGKMSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-2-6-16(7-3-1)13-19-20(24-15-21-19)18-9-4-8-17(12-18)14-23-11-5-10-22-23/h1-12,15H,13-14H2.
What are the key properties of 4-benzyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole?
4-benzyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole has a molecular weight of 315.38 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 163305240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).