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

C16H14ClNO — CID 59544959

IUPAC5-benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole
SMILESClc1cccc(C2=NOC(Cc3ccccc3)C2)c1
InChIInChI=1S/C16H14ClNO/c17-14-8-4-7-13(10-14)16-11-15(19-18-16)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11H2
InChIKeyOCROEUNWBHNYPH-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.08
Rot. Bonds3

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

5-benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 59544959) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 5-benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole
PubChem CID59544959
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name5-benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole
SMILESClc1cccc(C2=NOC(Cc3ccccc3)C2)c1
InChIInChI=1S/C16H14ClNO/c17-14-8-4-7-13(10-14)16-11-15(19-18-16)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11H2
InChIKeyOCROEUNWBHNYPH-UHFFFAOYSA-N
XLogP4.08
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]phenol
CID 71561964
(5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561970
(5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
CID 71561705
3-(3-chlorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole
CID 132942091
5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544914
4-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]benzonitrile
CID 71562092
(5S)-5-benzyl-3-naphthalen-1-yl-4,5-dihydro-1,2-oxazole
CID 71561575
(2S)-1-[(3-chlorophenyl)methyl-[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol
CID 93177204
(2S)-1-[(3-chlorophenyl)methyl-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol
CID 98629494
2-[(3-chlorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-1-phenylethanol
CID 46014190
5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544919
5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole
CID 3454805

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole (CID 59544959) is 5-benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole is Clc1cccc(C2=NOC(Cc3ccccc3)C2)c1.
What is the InChIKey of 5-benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is OCROEUNWBHNYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-14-8-4-7-13(10-14)16-11-15(19-18-16)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11H2.
What are the key properties of 5-benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole?
5-benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 271.75 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 59544959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).