2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide

C13H24N4O2S — CID 4797474

IUPAC2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide
SMILESCCC(c1nnc(SCC(=O)NCC(C)C)o1)N(C)C
InChIInChI=1S/C13H24N4O2S/c1-6-10(17(4)5)12-15-16-13(19-12)20-8-11(18)14-7-9(2)3/h9-10H,6-8H2,1-5H3,(H,14,18)
InChIKeyBQVSEEJMWAJJJN-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.95
Rot. Bonds8

About 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide

2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide (PubChem CID 4797474) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide
PubChem CID4797474
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide
SMILESCCC(c1nnc(SCC(=O)NCC(C)C)o1)N(C)C
InChIInChI=1S/C13H24N4O2S/c1-6-10(17(4)5)12-15-16-13(19-12)20-8-11(18)14-7-9(2)3/h9-10H,6-8H2,1-5H3,(H,14,18)
InChIKeyBQVSEEJMWAJJJN-UHFFFAOYSA-N
XLogP1.95
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(S)-tert-butyl (1-(5-((2-amino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate
CID 664945
(S)-tert-butyl (1-(5-((2-(diethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate
CID 662458
tert-butyl N-[(1S)-1-[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate
CID 665262
tert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate
CID 7472268
(S)-2-((5-(1-amino-2-methylpropyl)-1,3,4-oxadiazol-2-yl)thio)-N,N-diethylacetamide hydrochloride
CID 16682472
(S)-tert-butyl (1-(5-((2-amino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
CID 663039
(S)-tert-butyl (2-methyl-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propyl)carbamate
CID 662268
(S)-tert-butyl (1-(5-(butylthio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate
CID 662556
(S)-tert-butyl (1-(5-((2-(dimethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate
CID 665342
2-({5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N,N-dimethylacetamide
CID 938432
2-[[5-[1-(Dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 4851480
Tert-butyl [1-(5-{[2-(dimethylamino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 5171539

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide (CID 4797474) is 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide is CCC(c1nnc(SCC(=O)NCC(C)C)o1)N(C)C.
What is the InChIKey of 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide?
The InChIKey is BQVSEEJMWAJJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-6-10(17(4)5)12-15-16-13(19-12)20-8-11(18)14-7-9(2)3/h9-10H,6-8H2,1-5H3,(H,14,18).
What are the key properties of 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide?
2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide has a molecular weight of 300.43 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 4797474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).