[5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol

C13H13Cl2NO2 — CID 89275397

IUPAC[5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol
SMILESOCC1C(c2c(Cl)cccc2Cl)=NOC1C1CC1
InChIInChI=1S/C13H13Cl2NO2/c14-9-2-1-3-10(15)11(9)12-8(6-17)13(18-16-12)7-4-5-7/h1-3,7-8,13,17H,4-6H2
InChIKeyGSORYTTUKYQLRB-UHFFFAOYSA-N
MW286.16 g/mol
LogP3.11
Rot. Bonds3

About [5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol

[5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol (PubChem CID 89275397) has the molecular formula C13H13Cl2NO2 and a molecular weight of 286.16 g/mol. Its IUPAC name is [5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol
PubChem CID89275397
Molecular FormulaC13H13Cl2NO2
Molecular Weight286.16 g/mol
Exact Mass285.03
IUPAC Name[5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol
SMILESOCC1C(c2c(Cl)cccc2Cl)=NOC1C1CC1
InChIInChI=1S/C13H13Cl2NO2/c14-9-2-1-3-10(15)11(9)12-8(6-17)13(18-16-12)7-4-5-7/h1-3,7-8,13,17H,4-6H2
InChIKeyGSORYTTUKYQLRB-UHFFFAOYSA-N
XLogP3.11
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol (CID 89275397) is [5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol is OCC1C(c2c(Cl)cccc2Cl)=NOC1C1CC1.
What is the InChIKey of [5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol?
The InChIKey is GSORYTTUKYQLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO2/c14-9-2-1-3-10(15)11(9)12-8(6-17)13(18-16-12)7-4-5-7/h1-3,7-8,13,17H,4-6H2.
What are the key properties of [5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol?
[5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol has a molecular weight of 286.16 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 89275397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).