3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-2,5-dihydro-1,2-oxazole

C20H16ClNO — CID 91565352

IUPAC3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-2,5-dihydro-1,2-oxazole
SMILESClc1ccc(C2=CC(Cc3cccc4ccccc34)ON2)cc1
InChIInChI=1S/C20H16ClNO/c21-17-10-8-15(9-11-17)20-13-18(23-22-20)12-16-6-3-5-14-4-1-2-7-19(14)16/h1-11,13,18,22H,12H2
InChIKeyCDGMFOUUNDFLKW-UHFFFAOYSA-N
MW321.81 g/mol
LogP4.98
Rot. Bonds3

About 3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-2,5-dihydro-1,2-oxazole

3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-2,5-dihydro-1,2-oxazole (PubChem CID 91565352) has the molecular formula C20H16ClNO and a molecular weight of 321.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-2,5-dihydro-1,2-oxazole
PubChem CID91565352
Molecular FormulaC20H16ClNO
Molecular Weight321.81 g/mol
Exact Mass321.09
IUPAC Name3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-2,5-dihydro-1,2-oxazole
SMILESClc1ccc(C2=CC(Cc3cccc4ccccc34)ON2)cc1
InChIInChI=1S/C20H16ClNO/c21-17-10-8-15(9-11-17)20-13-18(23-22-20)12-16-6-3-5-14-4-1-2-7-19(14)16/h1-11,13,18,22H,12H2
InChIKeyCDGMFOUUNDFLKW-UHFFFAOYSA-N
XLogP4.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-2,5-dihydro-1,2-oxazole 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

1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanamine
CID 54207928
1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-difluoro-3-phenylphenyl)methoxy]methanamine
CID 54494996
3-(4-Chlorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole
CID 91115766
1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,6-dimethyl-3-phenylphenyl)methoxy]methanamine
CID 53836411
1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethenamine
CID 54042841
1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]prop-1-en-1-amine
CID 54060641
1-cyclopropylidene-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
CID 54202872
1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
CID 54246721
1-(4-chlorophenyl)-1-cyclopropylidene-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanamine
CID 54486785
3-(4-Chlorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 90883706
5-benzyl-3-(4-chlorophenyl)-5-phenyl-2H-1,2-oxazole
CID 90922611
5-Benzyl-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole
CID 90933052

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-2,5-dihydro-1,2-oxazole (CID 91565352) is 3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-2,5-dihydro-1,2-oxazole is Clc1ccc(C2=CC(Cc3cccc4ccccc34)ON2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is CDGMFOUUNDFLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO/c21-17-10-8-15(9-11-17)20-13-18(23-22-20)12-16-6-3-5-14-4-1-2-7-19(14)16/h1-11,13,18,22H,12H2.
What are the key properties of 3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-2,5-dihydro-1,2-oxazole?
3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 321.81 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91565352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).