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

C18H19NO3 — CID 71562209

IUPAC(5S)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2=NO[C@@H](Cc3ccccc3OC)C2)cc1
InChIInChI=1S/C18H19NO3/c1-20-15-9-7-13(8-10-15)17-12-16(22-19-17)11-14-5-3-4-6-18(14)21-2/h3-10,16H,11-12H2,1-2H3/t16-/m0/s1
InChIKeyBXAXHAGYLNMKGT-INIZCTEOSA-N
MW297.35 g/mol
LogP3.44
Rot. Bonds5

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

(5S)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole (PubChem CID 71562209) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (5S)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
PubChem CID71562209
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(5S)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2=NO[C@@H](Cc3ccccc3OC)C2)cc1
InChIInChI=1S/C18H19NO3/c1-20-15-9-7-13(8-10-15)17-12-16(22-19-17)11-14-5-3-4-6-18(14)21-2/h3-10,16H,11-12H2,1-2H3/t16-/m0/s1
InChIKeyBXAXHAGYLNMKGT-INIZCTEOSA-N
XLogP3.44
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Methoxyphenyl)ethanone [1-(3-methoxyphenyl)ethylidene]hydrazone
CID 5331696
N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine
CID 5397262
(5R)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 26433643
(5R)-5-benzyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71561706
(5R)-5-benzyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71561710
(5R)-5-benzyl-3-(4-methoxyphenyl)-1,4,2-dioxazole
CID 71561839
5-benzyl-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole
CID 59544955
3-(4-Chlorophenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 59544956
[Bis(4-methoxyphenyl)methylidene]hydrazine
CID 259399
1-(4-Methoxyphenyl)ethanone oxime
CID 5355943
N-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine
CID 11229314
PTP1B Inhibitor, 5
CID 71463479

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole (CID 71562209) is (5S)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole is COc1ccc(C2=NO[C@@H](Cc3ccccc3OC)C2)cc1.
What is the InChIKey of (5S)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is BXAXHAGYLNMKGT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19NO3/c1-20-15-9-7-13(8-10-15)17-12-16(22-19-17)11-14-5-3-4-6-18(14)21-2/h3-10,16H,11-12H2,1-2H3/t16-/m0/s1.
What are the key properties of (5S)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole?
(5S)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 297.35 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 71562209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).