2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone

C14H14ClN3O3S — CID 856069

IUPAC2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESO=C(CSc1nnc(-c2ccccc2Cl)o1)N1CCOCC1
InChIInChI=1S/C14H14ClN3O3S/c15-11-4-2-1-3-10(11)13-16-17-14(21-13)22-9-12(19)18-5-7-20-8-6-18/h1-4H,5-9H2
InChIKeyCRTWCQZQKFVYTJ-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.34
Rot. Bonds4

About 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone (PubChem CID 856069) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
PubChem CID856069
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC Name2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESO=C(CSc1nnc(-c2ccccc2Cl)o1)N1CCOCC1
InChIInChI=1S/C14H14ClN3O3S/c15-11-4-2-1-3-10(11)13-16-17-14(21-13)22-9-12(19)18-5-7-20-8-6-18/h1-4H,5-9H2
InChIKeyCRTWCQZQKFVYTJ-UHFFFAOYSA-N
XLogP2.34
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone (CID 856069) is 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone is O=C(CSc1nnc(-c2ccccc2Cl)o1)N1CCOCC1.
What is the InChIKey of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
The InChIKey is CRTWCQZQKFVYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c15-11-4-2-1-3-10(11)13-16-17-14(21-13)22-9-12(19)18-5-7-20-8-6-18/h1-4H,5-9H2.
What are the key properties of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone has a molecular weight of 339.80 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 856069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).