3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-2,5-dihydro-1,2-oxazole

C19H20ClNO — CID 91290829

IUPAC3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-2,5-dihydro-1,2-oxazole
SMILESCC(C)c1ccc(CC2C=C(c3ccc(Cl)cc3)NO2)cc1
InChIInChI=1S/C19H20ClNO/c1-13(2)15-5-3-14(4-6-15)11-18-12-19(21-22-18)16-7-9-17(20)10-8-16/h3-10,12-13,18,21H,11H2,1-2H3
InChIKeyNHDGAIIOLDAISO-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.95
Rot. Bonds4

About 3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-2,5-dihydro-1,2-oxazole

3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-2,5-dihydro-1,2-oxazole (PubChem CID 91290829) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-2,5-dihydro-1,2-oxazole
PubChem CID91290829
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-2,5-dihydro-1,2-oxazole
SMILESCC(C)c1ccc(CC2C=C(c3ccc(Cl)cc3)NO2)cc1
InChIInChI=1S/C19H20ClNO/c1-13(2)15-5-3-14(4-6-15)11-18-12-19(21-22-18)16-7-9-17(20)10-8-16/h3-10,12-13,18,21H,11H2,1-2H3
InChIKeyNHDGAIIOLDAISO-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 90718944
3-(4-Chlorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole
CID 91115766
3-(4-chlorophenyl)-5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 91137395
3-(4-chlorophenyl)-5-(3,5-diethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 91478404
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-(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
5-Benzyl-3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole
CID 91293008

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-2,5-dihydro-1,2-oxazole (CID 91290829) is 3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-2,5-dihydro-1,2-oxazole is CC(C)c1ccc(CC2C=C(c3ccc(Cl)cc3)NO2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-2,5-dihydro-1,2-oxazole?
The InChIKey is NHDGAIIOLDAISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-13(2)15-5-3-14(4-6-15)11-18-12-19(21-22-18)16-7-9-17(20)10-8-16/h3-10,12-13,18,21H,11H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-2,5-dihydro-1,2-oxazole?
3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-2,5-dihydro-1,2-oxazole has a molecular weight of 313.83 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91290829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).