2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide

C15H18N4O3S — CID 978064

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)o1
InChIInChI=1S/C15H18N4O3S/c1-11-17-18-15(22-11)23-10-14(20)16-12-2-4-13(5-3-12)19-6-8-21-9-7-19/h2-5H,6-10H2,1H3,(H,16,20)
InChIKeySCQAYZSDJSQQTM-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.95
Rot. Bonds5

About 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 978064) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID978064
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)o1
InChIInChI=1S/C15H18N4O3S/c1-11-17-18-15(22-11)23-10-14(20)16-12-2-4-13(5-3-12)19-6-8-21-9-7-19/h2-5H,6-10H2,1H3,(H,16,20)
InChIKeySCQAYZSDJSQQTM-UHFFFAOYSA-N
XLogP1.95
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[(2-{5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetyl)-phenyl-amino]-acetic acid ethyl ester
CID 648243
Ethyl 2-(5-{[(4-fluorophenyl)amino]methyl}-1,3,4-oxadiazol-2-ylthio)acetate
CID 652020
2-(5-Ethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-N-(4-morpholin-4-yl-phenyl)-acetamide
CID 1090936
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 5108122
2-{5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-N,N-diisopropyl-acetamide
CID 1431905
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(morpholin-4-yl)phenyl]acetamide
CID 2995574
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 3969431
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 4672615
4-fluoro-N-({5-[(2-morpholin-4-yl-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)aniline
CID 1123989
N,N-Diethyl-2-{5-[(4-fluoro-phenylamino)-methyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetamide
CID 1155314
2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-N-[2-(4-morpholinyl)phenyl]acetamide
CID 1286653
N-(4-fluorophenyl)-2-[[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 8557403

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide (CID 978064) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide is Cc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is SCQAYZSDJSQQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-11-17-18-15(22-11)23-10-14(20)16-12-2-4-13(5-3-12)19-6-8-21-9-7-19/h2-5H,6-10H2,1H3,(H,16,20).
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 334.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 978064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).