2-(1-benzyl-3-naphthalen-2-ylpyrazol-4-yl)-5-chloro-1,3-benzoxazole

C27H18ClN3O — CID 175684568

IUPAC2-(1-benzyl-3-naphthalen-2-ylpyrazol-4-yl)-5-chloro-1,3-benzoxazole
SMILESClc1ccc2oc(-c3cn(Cc4ccccc4)nc3-c3ccc4ccccc4c3)nc2c1
InChIInChI=1S/C27H18ClN3O/c28-22-12-13-25-24(15-22)29-27(32-25)23-17-31(16-18-6-2-1-3-7-18)30-26(23)21-11-10-19-8-4-5-9-20(19)14-21/h1-15,17H,16H2
InChIKeySFEDEBJTDOYYOT-UHFFFAOYSA-N
MW435.91 g/mol
LogP7.21
Rot. Bonds4

About 2-(1-benzyl-3-naphthalen-2-ylpyrazol-4-yl)-5-chloro-1,3-benzoxazole

2-(1-benzyl-3-naphthalen-2-ylpyrazol-4-yl)-5-chloro-1,3-benzoxazole (PubChem CID 175684568) has the molecular formula C27H18ClN3O and a molecular weight of 435.91 g/mol. Its IUPAC name is 2-(1-benzyl-3-naphthalen-2-ylpyrazol-4-yl)-5-chloro-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1-benzyl-3-naphthalen-2-ylpyrazol-4-yl)-5-chloro-1,3-benzoxazole
PubChem CID175684568
Molecular FormulaC27H18ClN3O
Molecular Weight435.91 g/mol
Exact Mass435.11
IUPAC Name2-(1-benzyl-3-naphthalen-2-ylpyrazol-4-yl)-5-chloro-1,3-benzoxazole
SMILESClc1ccc2oc(-c3cn(Cc4ccccc4)nc3-c3ccc4ccccc4c3)nc2c1
InChIInChI=1S/C27H18ClN3O/c28-22-12-13-25-24(15-22)29-27(32-25)23-17-31(16-18-6-2-1-3-7-18)30-26(23)21-11-10-19-8-4-5-9-20(19)14-21/h1-15,17H,16H2
InChIKeySFEDEBJTDOYYOT-UHFFFAOYSA-N
XLogP7.21
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.91
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-benzyl-3-naphthalen-2-ylpyrazol-4-yl)-5-chloro-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Chloro-2-[1-(3,4-difluorophenyl)pyrazol-4-yl]-1,3-benzoxazole
CID 49866189
2-[3-(4-Fluorophenyl)-1-phenylpyrazol-4-yl]-1,3-benzoxazole
CID 155808139
2-[1-[[3-(Trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-benzoxazole
CID 5110269
N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-1-methyl-pyrazole-4-carboxamide
CID 163379107
2-(1-Benzyl-3-(4-(trifluoromethyl)phenyl)-1h-pyrazol-4-yl)benzo[d]oxazole
CID 175684558
2-(1-Benzyl-3-(4-(trifluoromethyl)phenyl)-1h-pyrazol-4-yl)-5-methylbenzo[d]oxazole
CID 175684562
2-(1-Benzyl-3-(4-(trifluoromethyl)phenyl)-1h-pyrazol-4-yl)-6-methylbenzo[d]oxazole
CID 175684563
2-(1-Benzyl-3-(4-(trifluoromethyl)phenyl)-1h-pyrazol-4-yl)-5-chlorobenzo[d]oxazole
CID 175684564
2-[3-(4-Chlorophenyl)-1-phenyl-1h-pyrazol-4-yl]benzo[d]oxazole
CID 24807210
N-[(5-Chloro-1,3-benzoxazol-2-YL)methyl]-N-[(4-fluorophenyl)methyl]-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46100645
N-[4-[4-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-4,4,4-trifluoro-2-methylbutanamide
CID 21956577
N-[4-[4-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-(3-fluorophenyl)acetamide
CID 21956578

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3-naphthalen-2-ylpyrazol-4-yl)-5-chloro-1,3-benzoxazole?
The IUPAC name of 2-(1-benzyl-3-naphthalen-2-ylpyrazol-4-yl)-5-chloro-1,3-benzoxazole (CID 175684568) is 2-(1-benzyl-3-naphthalen-2-ylpyrazol-4-yl)-5-chloro-1,3-benzoxazole.
What is the SMILES notation for 2-(1-benzyl-3-naphthalen-2-ylpyrazol-4-yl)-5-chloro-1,3-benzoxazole?
The canonical SMILES for 2-(1-benzyl-3-naphthalen-2-ylpyrazol-4-yl)-5-chloro-1,3-benzoxazole is Clc1ccc2oc(-c3cn(Cc4ccccc4)nc3-c3ccc4ccccc4c3)nc2c1.
What is the InChIKey of 2-(1-benzyl-3-naphthalen-2-ylpyrazol-4-yl)-5-chloro-1,3-benzoxazole?
The InChIKey is SFEDEBJTDOYYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClN3O/c28-22-12-13-25-24(15-22)29-27(32-25)23-17-31(16-18-6-2-1-3-7-18)30-26(23)21-11-10-19-8-4-5-9-20(19)14-21/h1-15,17H,16H2.
What are the key properties of 2-(1-benzyl-3-naphthalen-2-ylpyrazol-4-yl)-5-chloro-1,3-benzoxazole?
2-(1-benzyl-3-naphthalen-2-ylpyrazol-4-yl)-5-chloro-1,3-benzoxazole has a molecular weight of 435.91 g/mol, XLogP of 7.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3-naphthalen-2-ylpyrazol-4-yl)-5-chloro-1,3-benzoxazole is sourced from PubChem (CID 175684568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).