2-chloro-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-oxazole

C13H14ClNO2 — CID 71226954

IUPAC2-chloro-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-oxazole
SMILESCC(C)(C)Oc1ccc(-c2cnc(Cl)o2)cc1
InChIInChI=1S/C13H14ClNO2/c1-13(2,3)17-10-6-4-9(5-7-10)11-8-15-12(14)16-11/h4-8H,1-3H3
InChIKeyZJLUCTOKSZTJIB-UHFFFAOYSA-N
MW251.71 g/mol
LogP4.17
Rot. Bonds2

About 2-chloro-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-oxazole

2-chloro-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-oxazole (PubChem CID 71226954) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 2-chloro-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-oxazole
PubChem CID71226954
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name2-chloro-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-oxazole
SMILESCC(C)(C)Oc1ccc(-c2cnc(Cl)o2)cc1
InChIInChI=1S/C13H14ClNO2/c1-13(2,3)17-10-6-4-9(5-7-10)11-8-15-12(14)16-11/h4-8H,1-3H3
InChIKeyZJLUCTOKSZTJIB-UHFFFAOYSA-N
XLogP4.17
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-oxazole?
The IUPAC name of 2-chloro-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-oxazole (CID 71226954) is 2-chloro-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-chloro-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-oxazole?
The canonical SMILES for 2-chloro-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-oxazole is CC(C)(C)Oc1ccc(-c2cnc(Cl)o2)cc1.
What is the InChIKey of 2-chloro-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-oxazole?
The InChIKey is ZJLUCTOKSZTJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-13(2,3)17-10-6-4-9(5-7-10)11-8-15-12(14)16-11/h4-8H,1-3H3.
What are the key properties of 2-chloro-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-oxazole?
2-chloro-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-oxazole has a molecular weight of 251.71 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-oxazole is sourced from PubChem (CID 71226954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).