4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]morpholine

C14H15ClN2O2 — CID 1481105

IUPAC4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]morpholine
SMILESClc1ccc(-c2cc(CN3CCOCC3)no2)cc1
InChIInChI=1S/C14H15ClN2O2/c15-12-3-1-11(2-4-12)14-9-13(16-19-14)10-17-5-7-18-8-6-17/h1-4,9H,5-8,10H2
InChIKeyRARAMQQLQKMIFU-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.83
Rot. Bonds3

About 4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]morpholine

4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]morpholine (PubChem CID 1481105) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]morpholine
PubChem CID1481105
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]morpholine
SMILESClc1ccc(-c2cc(CN3CCOCC3)no2)cc1
InChIInChI=1S/C14H15ClN2O2/c15-12-3-1-11(2-4-12)14-9-13(16-19-14)10-17-5-7-18-8-6-17/h1-4,9H,5-8,10H2
InChIKeyRARAMQQLQKMIFU-UHFFFAOYSA-N
XLogP2.83
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]morpholine (CID 1481105) is 4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]morpholine is Clc1ccc(-c2cc(CN3CCOCC3)no2)cc1.
What is the InChIKey of 4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]morpholine?
The InChIKey is RARAMQQLQKMIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-12-3-1-11(2-4-12)14-9-13(16-19-14)10-17-5-7-18-8-6-17/h1-4,9H,5-8,10H2.
What are the key properties of 4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]morpholine?
4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]morpholine has a molecular weight of 278.74 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]morpholine is sourced from PubChem (CID 1481105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).