2-(4-methoxyphenyl)-5-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazole

C14H17N3O2S — CID 5146548

IUPAC2-(4-methoxyphenyl)-5-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(CN3CCSCC3)o2)cc1
InChIInChI=1S/C14H17N3O2S/c1-18-12-4-2-11(3-5-12)14-16-15-13(19-14)10-17-6-8-20-9-7-17/h2-5H,6-10H2,1H3
InChIKeyRTRLIYVZEKBGMB-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.29
Rot. Bonds4

About 2-(4-methoxyphenyl)-5-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazole

2-(4-methoxyphenyl)-5-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazole (PubChem CID 5146548) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazole
PubChem CID5146548
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-(4-methoxyphenyl)-5-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(CN3CCSCC3)o2)cc1
InChIInChI=1S/C14H17N3O2S/c1-18-12-4-2-11(3-5-12)14-16-15-13(19-14)10-17-6-8-20-9-7-17/h2-5H,6-10H2,1H3
InChIKeyRTRLIYVZEKBGMB-UHFFFAOYSA-N
XLogP2.29
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]phenol
CID 36839855
2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 18271596
2-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 134011384
2-(4-methoxyphenyl)-5-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)methyl]-1,3,4-oxadiazole
CID 86894398
2-[[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 86895371
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanol
CID 3041371
2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 67274190
2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 4824709
2-[[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 86895024
2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43513285
ethyl (3S)-1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxylate
CID 36795920
ethyl 1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxylate
CID 42926003

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazole (CID 5146548) is 2-(4-methoxyphenyl)-5-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(CN3CCSCC3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is RTRLIYVZEKBGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-18-12-4-2-11(3-5-12)14-16-15-13(19-14)10-17-6-8-20-9-7-17/h2-5H,6-10H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 291.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 5146548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).