N,N-diethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C16H18N4O2S — CID 858944

IUPACN,N-diethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C16H18N4O2S/c1-3-20(4-2)14(21)10-23-16-19-18-15(22-16)12-9-17-13-8-6-5-7-11(12)13/h5-9,17H,3-4,10H2,1-2H3
InChIKeyKEKYCPQMHAQPAS-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.18
Rot. Bonds6

About N,N-diethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N,N-diethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 858944) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N,N-diethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID858944
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN,N-diethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C16H18N4O2S/c1-3-20(4-2)14(21)10-23-16-19-18-15(22-16)12-9-17-13-8-6-5-7-11(12)13/h5-9,17H,3-4,10H2,1-2H3
InChIKeyKEKYCPQMHAQPAS-UHFFFAOYSA-N
XLogP3.18
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 858944) is N,N-diethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CCN(CC)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1.
What is the InChIKey of N,N-diethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is KEKYCPQMHAQPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-3-20(4-2)14(21)10-23-16-19-18-15(22-16)12-9-17-13-8-6-5-7-11(12)13/h5-9,17H,3-4,10H2,1-2H3.
What are the key properties of N,N-diethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N,N-diethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 330.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 858944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).