4-methoxy-N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]aniline

C16H22N4O3S — CID 23797546

IUPAC4-methoxy-N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
SMILESCOc1ccc(NCc2nnc(SCCN3CCOCC3)o2)cc1
InChIInChI=1S/C16H22N4O3S/c1-21-14-4-2-13(3-5-14)17-12-15-18-19-16(23-15)24-11-8-20-6-9-22-10-7-20/h2-5,17H,6-12H2,1H3
InChIKeyDIIDXUVQUHGYOH-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.11
Rot. Bonds8

About 4-methoxy-N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]aniline

4-methoxy-N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]aniline (PubChem CID 23797546) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-methoxy-N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
PubChem CID23797546
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name4-methoxy-N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
SMILESCOc1ccc(NCc2nnc(SCCN3CCOCC3)o2)cc1
InChIInChI=1S/C16H22N4O3S/c1-21-14-4-2-13(3-5-14)17-12-15-18-19-16(23-15)24-11-8-20-6-9-22-10-7-20/h2-5,17H,6-12H2,1H3
InChIKeyDIIDXUVQUHGYOH-UHFFFAOYSA-N
XLogP2.11
TPSA72.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502239
N-(4-chlorophenyl)-2-[[5-[(4-methoxyanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1130152
N-(2,3-dimethylphenyl)-2-[[5-[(4-methoxyanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1170145
4-methoxy-N-[[1-(2-morpholin-4-ylethyl)indol-3-yl]methyl]aniline
CID 44603601
1-[2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 30833869
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenoxyaniline
CID 110653037
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6460386
2-(2-morpholin-4-ylethylsulfanyl)pyrimidine-4,6-diamine
CID 864592
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 110335024
7-methoxy-2-(2-morpholin-4-ylethylsulfanyl)quinoline-3-carbonitrile
CID 855533
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-pyrrolidin-1-ylaniline
CID 110652866

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
The IUPAC name of 4-methoxy-N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]aniline (CID 23797546) is 4-methoxy-N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]aniline.
What is the SMILES notation for 4-methoxy-N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
The canonical SMILES for 4-methoxy-N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]aniline is COc1ccc(NCc2nnc(SCCN3CCOCC3)o2)cc1.
What is the InChIKey of 4-methoxy-N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
The InChIKey is DIIDXUVQUHGYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-21-14-4-2-13(3-5-14)17-12-15-18-19-16(23-15)24-11-8-20-6-9-22-10-7-20/h2-5,17H,6-12H2,1H3.
What are the key properties of 4-methoxy-N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
4-methoxy-N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]aniline has a molecular weight of 350.44 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]aniline is sourced from PubChem (CID 23797546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).