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

C14H16ClN3O2S — CID 66433459

IUPAC2-[[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESClc1ccccc1SCc1noc(CC2CNCCO2)n1
InChIInChI=1S/C14H16ClN3O2S/c15-11-3-1-2-4-12(11)21-9-13-17-14(20-18-13)7-10-8-16-5-6-19-10/h1-4,10,16H,5-9H2
InChIKeyGALBKOVIQPBECO-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.55
Rot. Bonds5

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

2-[[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine (PubChem CID 66433459) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 2-[[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine
PubChem CID66433459
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name2-[[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESClc1ccccc1SCc1noc(CC2CNCCO2)n1
InChIInChI=1S/C14H16ClN3O2S/c15-11-3-1-2-4-12(11)21-9-13-17-14(20-18-13)7-10-8-16-5-6-19-10/h1-4,10,16H,5-9H2
InChIKeyGALBKOVIQPBECO-UHFFFAOYSA-N
XLogP2.55
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The IUPAC name of 2-[[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine (CID 66433459) is 2-[[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 2-[[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The canonical SMILES for 2-[[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine is Clc1ccccc1SCc1noc(CC2CNCCO2)n1.
What is the InChIKey of 2-[[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The InChIKey is GALBKOVIQPBECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c15-11-3-1-2-4-12(11)21-9-13-17-14(20-18-13)7-10-8-16-5-6-19-10/h1-4,10,16H,5-9H2.
What are the key properties of 2-[[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine?
2-[[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine has a molecular weight of 325.82 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 66433459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).