4-benzyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole

C20H17N3O — CID 163305968

IUPAC4-benzyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole
SMILESc1ccc(Cc2ncoc2-c2ccccc2Cn2cccn2)cc1
InChIInChI=1S/C20H17N3O/c1-2-7-16(8-3-1)13-19-20(24-15-21-19)18-10-5-4-9-17(18)14-23-12-6-11-22-23/h1-12,15H,13-14H2
InChIKeyCIHVSWCSVPLOPB-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.18
Rot. Bonds5

About 4-benzyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole

4-benzyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole (PubChem CID 163305968) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-benzyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-benzyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole
PubChem CID163305968
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name4-benzyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole
SMILESc1ccc(Cc2ncoc2-c2ccccc2Cn2cccn2)cc1
InChIInChI=1S/C20H17N3O/c1-2-7-16(8-3-1)13-19-20(24-15-21-19)18-10-5-4-9-17(18)14-23-12-6-11-22-23/h1-12,15H,13-14H2
InChIKeyCIHVSWCSVPLOPB-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-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole
CID 163305240
4-(chloromethyl)-2-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole
CID 43138436
4-benzyl-5-(5-methyl-2-pyridinyl)-1,3-oxazole
CID 163316308
N-methyl-2-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]ethanesulfonamide
CID 70729808
2-[2-(pyrazol-1-ylmethyl)phenyl]isoindole-1,3-dione
CID 168519794
2-methyl-4-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]butan-2-ol
CID 146046653
1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole
CID 101492467
1-phenyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole
CID 135858669
3-(pyrazol-1-ylmethyl)pyridine-2-carboxylic acid
CID 63073383
N-[(2-bromophenyl)methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 55464118
1-(4-benzyl-1,3-oxazol-5-yl)-N-methylmethanamine
CID 112545403
2-[3-(pyrazol-1-ylmethyl)phenyl]acetaldehyde
CID 123588781

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole?
The IUPAC name of 4-benzyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole (CID 163305968) is 4-benzyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 4-benzyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 4-benzyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole is c1ccc(Cc2ncoc2-c2ccccc2Cn2cccn2)cc1.
What is the InChIKey of 4-benzyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole?
The InChIKey is CIHVSWCSVPLOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-2-7-16(8-3-1)13-19-20(24-15-21-19)18-10-5-4-9-17(18)14-23-12-6-11-22-23/h1-12,15H,13-14H2.
What are the key properties of 4-benzyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole?
4-benzyl-5-[2-(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-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 163305968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).