3-(2,6-dichlorophenyl)-4-(phenoxymethyl)-5-propan-2-yl-1,2-oxazole

C19H17Cl2NO2 — CID 90767009

IUPAC3-(2,6-dichlorophenyl)-4-(phenoxymethyl)-5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccccc1
InChIInChI=1S/C19H17Cl2NO2/c1-12(2)19-14(11-23-13-7-4-3-5-8-13)18(22-24-19)17-15(20)9-6-10-16(17)21/h3-10,12H,11H2,1-2H3
InChIKeyCZCDHWYBLWNFID-UHFFFAOYSA-N
MW362.26 g/mol
LogP6.35
Rot. Bonds5

About 3-(2,6-dichlorophenyl)-4-(phenoxymethyl)-5-propan-2-yl-1,2-oxazole

3-(2,6-dichlorophenyl)-4-(phenoxymethyl)-5-propan-2-yl-1,2-oxazole (PubChem CID 90767009) has the molecular formula C19H17Cl2NO2 and a molecular weight of 362.26 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-4-(phenoxymethyl)-5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-4-(phenoxymethyl)-5-propan-2-yl-1,2-oxazole
PubChem CID90767009
Molecular FormulaC19H17Cl2NO2
Molecular Weight362.26 g/mol
Exact Mass361.06
IUPAC Name3-(2,6-dichlorophenyl)-4-(phenoxymethyl)-5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccccc1
InChIInChI=1S/C19H17Cl2NO2/c1-12(2)19-14(11-23-13-7-4-3-5-8-13)18(22-24-19)17-15(20)9-6-10-16(17)21/h3-10,12H,11H2,1-2H3
InChIKeyCZCDHWYBLWNFID-UHFFFAOYSA-N
XLogP6.35
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.26
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-4-(phenoxymethyl)-5-propan-2-yl-1,2-oxazole?
The IUPAC name of 3-(2,6-dichlorophenyl)-4-(phenoxymethyl)-5-propan-2-yl-1,2-oxazole (CID 90767009) is 3-(2,6-dichlorophenyl)-4-(phenoxymethyl)-5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-4-(phenoxymethyl)-5-propan-2-yl-1,2-oxazole?
The canonical SMILES for 3-(2,6-dichlorophenyl)-4-(phenoxymethyl)-5-propan-2-yl-1,2-oxazole is CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccccc1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-4-(phenoxymethyl)-5-propan-2-yl-1,2-oxazole?
The InChIKey is CZCDHWYBLWNFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO2/c1-12(2)19-14(11-23-13-7-4-3-5-8-13)18(22-24-19)17-15(20)9-6-10-16(17)21/h3-10,12H,11H2,1-2H3.
What are the key properties of 3-(2,6-dichlorophenyl)-4-(phenoxymethyl)-5-propan-2-yl-1,2-oxazole?
3-(2,6-dichlorophenyl)-4-(phenoxymethyl)-5-propan-2-yl-1,2-oxazole has a molecular weight of 362.26 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-4-(phenoxymethyl)-5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 90767009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).