1-(2-chloro-4-fluorophenyl)-2-[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanol

C16H18ClFN2O3 — CID 154796344

IUPAC1-(2-chloro-4-fluorophenyl)-2-[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanol
SMILESCOCc1cc(C2CN(CC(O)c3ccc(F)cc3Cl)C2)no1
InChIInChI=1S/C16H18ClFN2O3/c1-22-9-12-5-15(19-23-12)10-6-20(7-10)8-16(21)13-3-2-11(18)4-14(13)17/h2-5,10,16,21H,6-9H2,1H3
InChIKeySPYXMBDSLQEQBT-UHFFFAOYSA-N
MW340.78 g/mol
LogP2.75
Rot. Bonds6

About 1-(2-chloro-4-fluorophenyl)-2-[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanol

1-(2-chloro-4-fluorophenyl)-2-[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanol (PubChem CID 154796344) has the molecular formula C16H18ClFN2O3 and a molecular weight of 340.78 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-2-[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-2-[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanol
PubChem CID154796344
Molecular FormulaC16H18ClFN2O3
Molecular Weight340.78 g/mol
Exact Mass340.10
IUPAC Name1-(2-chloro-4-fluorophenyl)-2-[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanol
SMILESCOCc1cc(C2CN(CC(O)c3ccc(F)cc3Cl)C2)no1
InChIInChI=1S/C16H18ClFN2O3/c1-22-9-12-5-15(19-23-12)10-6-20(7-10)8-16(21)13-3-2-11(18)4-14(13)17/h2-5,10,16,21H,6-9H2,1H3
InChIKeySPYXMBDSLQEQBT-UHFFFAOYSA-N
XLogP2.75
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.78
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanol?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanol (CID 154796344) is 1-(2-chloro-4-fluorophenyl)-2-[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanol.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-2-[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanol?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-2-[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanol is COCc1cc(C2CN(CC(O)c3ccc(F)cc3Cl)C2)no1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-2-[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanol?
The InChIKey is SPYXMBDSLQEQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O3/c1-22-9-12-5-15(19-23-12)10-6-20(7-10)8-16(21)13-3-2-11(18)4-14(13)17/h2-5,10,16,21H,6-9H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-2-[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanol?
1-(2-chloro-4-fluorophenyl)-2-[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanol has a molecular weight of 340.78 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-2-[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanol is sourced from PubChem (CID 154796344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).