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

C17H16ClNO2 — CID 132564224

IUPAC2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(CC2CN=C(c3ccc(Cl)cc3)O2)cc1
InChIInChI=1S/C17H16ClNO2/c1-20-15-8-2-12(3-9-15)10-16-11-19-17(21-16)13-4-6-14(18)7-5-13/h2-9,16H,10-11H2,1H3
InChIKeyIZAYEVKRMKKNHT-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.74
Rot. Bonds4

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

2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 132564224) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole
PubChem CID132564224
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(CC2CN=C(c3ccc(Cl)cc3)O2)cc1
InChIInChI=1S/C17H16ClNO2/c1-20-15-8-2-12(3-9-15)10-16-11-19-17(21-16)13-4-6-14(18)7-5-13/h2-9,16H,10-11H2,1H3
InChIKeyIZAYEVKRMKKNHT-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole (CID 132564224) is 2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole is COc1ccc(CC2CN=C(c3ccc(Cl)cc3)O2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is IZAYEVKRMKKNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-20-15-8-2-12(3-9-15)10-16-11-19-17(21-16)13-4-6-14(18)7-5-13/h2-9,16H,10-11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole?
2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 301.77 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 132564224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).