1-[5-[4-(phenylsulfanylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C19H19N3OS — CID 120862646

IUPAC1-[5-[4-(phenylsulfanylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(-c3ccc(CSc4ccccc4)cc3)n2)CCC1
InChIInChI=1S/C19H19N3OS/c20-19(11-4-12-19)18-21-17(23-22-18)15-9-7-14(8-10-15)13-24-16-5-2-1-3-6-16/h1-3,5-10H,4,11-13,20H2
InChIKeyJHJFXPYOOJUNCV-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.37
Rot. Bonds5

About 1-[5-[4-(phenylsulfanylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-[4-(phenylsulfanylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120862646) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-[5-[4-(phenylsulfanylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[4-(phenylsulfanylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120862646
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name1-[5-[4-(phenylsulfanylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(-c3ccc(CSc4ccccc4)cc3)n2)CCC1
InChIInChI=1S/C19H19N3OS/c20-19(11-4-12-19)18-21-17(23-22-18)15-9-7-14(8-10-15)13-24-16-5-2-1-3-6-16/h1-3,5-10H,4,11-13,20H2
InChIKeyJHJFXPYOOJUNCV-UHFFFAOYSA-N
XLogP4.37
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351739
[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 120860566
1-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 79212212
1-[5-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850110
1-[5-[4-(diethylaminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862052
1-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851270
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862536
1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea
CID 120856143
1-[5-[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863760
3-[[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione
CID 120863100
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352714

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(phenylsulfanylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[4-(phenylsulfanylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120862646) is 1-[5-[4-(phenylsulfanylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[4-(phenylsulfanylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[4-(phenylsulfanylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is NC1(c2noc(-c3ccc(CSc4ccccc4)cc3)n2)CCC1.
What is the InChIKey of 1-[5-[4-(phenylsulfanylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is JHJFXPYOOJUNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c20-19(11-4-12-19)18-21-17(23-22-18)15-9-7-14(8-10-15)13-24-16-5-2-1-3-6-16/h1-3,5-10H,4,11-13,20H2.
What are the key properties of 1-[5-[4-(phenylsulfanylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[4-(phenylsulfanylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 337.45 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(phenylsulfanylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120862646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).