N-ethyl-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

C13H25N3OS — CID 65133728

IUPACN-ethyl-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCNC(C)C(CC)c1nc(CSC(C)C)no1
InChIInChI=1S/C13H25N3OS/c1-6-11(10(5)14-7-2)13-15-12(16-17-13)8-18-9(3)4/h9-11,14H,6-8H2,1-5H3
InChIKeyQRFUWGYPNDOORX-UHFFFAOYSA-N
MW271.43 g/mol
LogP3.20
Rot. Bonds8

About N-ethyl-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

N-ethyl-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 65133728) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-ethyl-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID65133728
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCNC(C)C(CC)c1nc(CSC(C)C)no1
InChIInChI=1S/C13H25N3OS/c1-6-11(10(5)14-7-2)13-15-12(16-17-13)8-18-9(3)4/h9-11,14H,6-8H2,1-5H3
InChIKeyQRFUWGYPNDOORX-UHFFFAOYSA-N
XLogP3.20
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine
CID 65144475
N-propyl-3-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65134533
N-ethyl-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352034
N-ethyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103988151
(1R)-2-methyl-1-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104901635
N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348667
(2S)-2-amino-2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915753
3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539896
N-ethyl-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 104612040
N-ethyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 65137621
3-[3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 66055344
N-ethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 116809225

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of N-ethyl-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 65133728) is N-ethyl-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N-ethyl-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for N-ethyl-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCNC(C)C(CC)c1nc(CSC(C)C)no1.
What is the InChIKey of N-ethyl-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is QRFUWGYPNDOORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-6-11(10(5)14-7-2)13-15-12(16-17-13)8-18-9(3)4/h9-11,14H,6-8H2,1-5H3.
What are the key properties of N-ethyl-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
N-ethyl-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 271.43 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 65133728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).