N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide

C15H26N4O2S — CID 71915762

IUPACN-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide
SMILESCCSC(C)c1noc(CN(C)CC(=O)N(C)CC2CC2)n1
InChIInChI=1S/C15H26N4O2S/c1-5-22-11(2)15-16-13(21-17-15)9-18(3)10-14(20)19(4)8-12-6-7-12/h11-12H,5-10H2,1-4H3
InChIKeyZWRIGWNPKDXISH-UHFFFAOYSA-N
MW326.47 g/mol
LogP2.18
Rot. Bonds9

About N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide

N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide (PubChem CID 71915762) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide
PubChem CID71915762
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC NameN-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide
SMILESCCSC(C)c1noc(CN(C)CC(=O)N(C)CC2CC2)n1
InChIInChI=1S/C15H26N4O2S/c1-5-22-11(2)15-16-13(21-17-15)9-18(3)10-14(20)19(4)8-12-6-7-12/h11-12H,5-10H2,1-4H3
InChIKeyZWRIGWNPKDXISH-UHFFFAOYSA-N
XLogP2.18
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-cyano-2-fluorophenyl)methyl]-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide
CID 71915761
2-[[3-[(1S)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 97058788
1-[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 120901794
2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 71847362
2-[[3-[(1S)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 97029945
2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-propylacetamide
CID 24648763
methyl 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetate
CID 60721009
methyl (2R)-1-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate
CID 97029950
6-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]pyridine-2-carbonitrile
CID 86779474
4-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,N-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 71847370
3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 60987942
2-[1-aminopropan-2-yl(methyl)amino]-N-(cyclopropylmethyl)-N-methylacetamide
CID 119924791

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide (CID 71915762) is N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide is CCSC(C)c1noc(CN(C)CC(=O)N(C)CC2CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide?
The InChIKey is ZWRIGWNPKDXISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-5-22-11(2)15-16-13(21-17-15)9-18(3)10-14(20)19(4)8-12-6-7-12/h11-12H,5-10H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide?
N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide has a molecular weight of 326.47 g/mol, XLogP of 2.18, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 71915762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).