5-benzyl-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole

C17H16ClNO — CID 59544929

IUPAC5-benzyl-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole
SMILESCC1(Cc2ccccc2)CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C17H16ClNO/c1-17(11-13-5-3-2-4-6-13)12-16(19-20-17)14-7-9-15(18)10-8-14/h2-10H,11-12H2,1H3
InChIKeyVQZLZKMDVOHZKK-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.47
Rot. Bonds3

About 5-benzyl-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole

5-benzyl-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole (PubChem CID 59544929) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 5-benzyl-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole
PubChem CID59544929
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name5-benzyl-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole
SMILESCC1(Cc2ccccc2)CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C17H16ClNO/c1-17(11-13-5-3-2-4-6-13)12-16(19-20-17)14-7-9-15(18)10-8-14/h2-10H,11-12H2,1H3
InChIKeyVQZLZKMDVOHZKK-UHFFFAOYSA-N
XLogP4.47
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Benzyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544904
(5R)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562090
(5R)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562324
5-Benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544959
(5S)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562091
(5S)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562325
3-(4-Chlorophenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 59544954
(5R)-3-(4-chlorophenyl)-5-[(4-ethylphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562326
(5S)-3-(4-chlorophenyl)-5-[(4-ethylphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562327
(5S)-3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562329
3-(4-Chlorophenyl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole
CID 71458653
N-[(4-chlorophenyl)-phenylmethoxy]cyclohexanimine
CID 46881759

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole?
The IUPAC name of 5-benzyl-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole (CID 59544929) is 5-benzyl-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole.
What is the SMILES notation for 5-benzyl-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole?
The canonical SMILES for 5-benzyl-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole is CC1(Cc2ccccc2)CC(c2ccc(Cl)cc2)=NO1.
What is the InChIKey of 5-benzyl-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole?
The InChIKey is VQZLZKMDVOHZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-17(11-13-5-3-2-4-6-13)12-16(19-20-17)14-7-9-15(18)10-8-14/h2-10H,11-12H2,1H3.
What are the key properties of 5-benzyl-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole?
5-benzyl-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole has a molecular weight of 285.77 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole is sourced from PubChem (CID 59544929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).