N,N-diethyl-3-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C15H19N3O3S — CID 4279921

IUPACN,N-diethyl-3-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCCN(CC)C(=O)CCSc1nnc(-c2ccc(O)cc2)o1
InChIInChI=1S/C15H19N3O3S/c1-3-18(4-2)13(20)9-10-22-15-17-16-14(21-15)11-5-7-12(19)8-6-11/h5-8,19H,3-4,9-10H2,1-2H3
InChIKeyJHQUWEDAYOFDSX-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.79
Rot. Bonds7

About N,N-diethyl-3-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

N,N-diethyl-3-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 4279921) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N,N-diethyl-3-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID4279921
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN,N-diethyl-3-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCCN(CC)C(=O)CCSc1nnc(-c2ccc(O)cc2)o1
InChIInChI=1S/C15H19N3O3S/c1-3-18(4-2)13(20)9-10-22-15-17-16-14(21-15)11-5-7-12(19)8-6-11/h5-8,19H,3-4,9-10H2,1-2H3
InChIKeyJHQUWEDAYOFDSX-UHFFFAOYSA-N
XLogP2.79
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 3922572
3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide
CID 3503612
3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide
CID 3895358
3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 6952022
N,N-diethyl-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1152538
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 7023539
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide
CID 52705708
3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 3298737
N-ethyl-N-(2-methylprop-2-enyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78761564
N'-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-4-methylbenzohydrazide
CID 3177868
N,N-diethyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334016
4-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanoic acid
CID 139568659

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N,N-diethyl-3-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 4279921) is N,N-diethyl-3-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N,N-diethyl-3-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N,N-diethyl-3-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is CCN(CC)C(=O)CCSc1nnc(-c2ccc(O)cc2)o1.
What is the InChIKey of N,N-diethyl-3-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is JHQUWEDAYOFDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-3-18(4-2)13(20)9-10-22-15-17-16-14(21-15)11-5-7-12(19)8-6-11/h5-8,19H,3-4,9-10H2,1-2H3.
What are the key properties of N,N-diethyl-3-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
N,N-diethyl-3-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 321.40 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 4279921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).