(5S)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole

C17H16ClNO2 — CID 71562323

IUPAC(5S)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)cc1
InChIInChI=1S/C17H16ClNO2/c1-20-15-8-2-12(3-9-15)10-16-11-17(19-21-16)13-4-6-14(18)7-5-13/h2-9,16H,10-11H2,1H3/t16-/m0/s1
InChIKeyFLTUIXXSGMDNES-INIZCTEOSA-N
MW301.77 g/mol
LogP4.08
Rot. Bonds4

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

(5S)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole (PubChem CID 71562323) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is (5S)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
PubChem CID71562323
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name(5S)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)cc1
InChIInChI=1S/C17H16ClNO2/c1-20-15-8-2-12(3-9-15)10-16-11-17(19-21-16)13-4-6-14(18)7-5-13/h2-9,16H,10-11H2,1H3/t16-/m0/s1
InChIKeyFLTUIXXSGMDNES-INIZCTEOSA-N
XLogP4.08
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562212
(5R)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71562094
3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 59544906
(5S)-3-(2,6-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 129386102
[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11310285
[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11041952
(5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 99994013
(5S)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562209
2-[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetonitrile
CID 51674838
5-but-3-enyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 86058522
methyl 2-[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate
CID 10800894
(5R)-5-[(6-bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 26415844

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole (CID 71562323) is (5S)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole is COc1ccc(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)cc1.
What is the InChIKey of (5S)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is FLTUIXXSGMDNES-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-20-15-8-2-12(3-9-15)10-16-11-17(19-21-16)13-4-6-14(18)7-5-13/h2-9,16H,10-11H2,1H3/t16-/m0/s1.
What are the key properties of (5S)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole?
(5S)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 301.77 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 71562323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).