N-ethyl-4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

C15H19N3O2S — CID 66246672

IUPACN-ethyl-4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCCNC1COCC1c1nc(CSc2ccccc2)no1
InChIInChI=1S/C15H19N3O2S/c1-2-16-13-9-19-8-12(13)15-17-14(18-20-15)10-21-11-6-4-3-5-7-11/h3-7,12-13,16H,2,8-10H2,1H3
InChIKeyVJGWMIOMRCOAQF-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.45
Rot. Bonds6

About N-ethyl-4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

N-ethyl-4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 66246672) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-ethyl-4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID66246672
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-ethyl-4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCCNC1COCC1c1nc(CSc2ccccc2)no1
InChIInChI=1S/C15H19N3O2S/c1-2-16-13-9-19-8-12(13)15-17-14(18-20-15)10-21-11-6-4-3-5-7-11/h3-7,12-13,16H,2,8-10H2,1H3
InChIKeyVJGWMIOMRCOAQF-UHFFFAOYSA-N
XLogP2.45
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66239900
N-methyl-4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66264900
4-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethyloxolan-3-amine
CID 66246266
N-ethyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 79953397
N-propyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66252880
4-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66252881
N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 66248052
4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethyloxolan-3-amine
CID 103146456
N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66235822
(5S)-5-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911302
(3S,5S)-5-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912338
4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66252490

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of N-ethyl-4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 66246672) is N-ethyl-4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for N-ethyl-4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for N-ethyl-4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is CCNC1COCC1c1nc(CSc2ccccc2)no1.
What is the InChIKey of N-ethyl-4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is VJGWMIOMRCOAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-16-13-9-19-8-12(13)15-17-14(18-20-15)10-21-11-6-4-3-5-7-11/h3-7,12-13,16H,2,8-10H2,1H3.
What are the key properties of N-ethyl-4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
N-ethyl-4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 305.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 66246672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).