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

C17H16ClNO2 — CID 59544956

IUPAC3-(4-chlorophenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
SMILESCOc1ccccc1CC1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C17H16ClNO2/c1-20-17-5-3-2-4-13(17)10-15-11-16(19-21-15)12-6-8-14(18)9-7-12/h2-9,15H,10-11H2,1H3
InChIKeyPHQNCHUAWHYQDV-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.08
Rot. Bonds4

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

3-(4-chlorophenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole (PubChem CID 59544956) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
PubChem CID59544956
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name3-(4-chlorophenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
SMILESCOc1ccccc1CC1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C17H16ClNO2/c1-20-17-5-3-2-4-13(17)10-15-11-16(19-21-15)12-6-8-14(18)9-7-12/h2-9,15H,10-11H2,1H3
InChIKeyPHQNCHUAWHYQDV-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole (CID 59544956) is 3-(4-chlorophenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole is COc1ccccc1CC1CC(c2ccc(Cl)cc2)=NO1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is PHQNCHUAWHYQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-20-17-5-3-2-4-13(17)10-15-11-16(19-21-15)12-6-8-14(18)9-7-12/h2-9,15H,10-11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole?
3-(4-chlorophenyl)-5-[(2-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 3-(4-chlorophenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 59544956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).