1-[5-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine

C14H18N2OS — CID 114057670

IUPAC1-[5-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(C)ccc1Sc1ncco1
InChIInChI=1S/C14H18N2OS/c1-3-12(15)9-11-8-10(2)4-5-13(11)18-14-16-6-7-17-14/h4-8,12H,3,9,15H2,1-2H3
InChIKeyGGUMTOKCVDQOSR-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.41
Rot. Bonds5

About 1-[5-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine

1-[5-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine (PubChem CID 114057670) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[5-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine
PubChem CID114057670
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-[5-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(C)ccc1Sc1ncco1
InChIInChI=1S/C14H18N2OS/c1-3-12(15)9-11-8-10(2)4-5-13(11)18-14-16-6-7-17-14/h4-8,12H,3,9,15H2,1-2H3
InChIKeyGGUMTOKCVDQOSR-UHFFFAOYSA-N
XLogP3.41
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine
CID 106927064
1-[5-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]butan-2-amine
CID 63817974
1-[5-methyl-2-(3-methylbutylsulfanyl)phenyl]butan-2-amine
CID 114057677
1-[2-(1,3-oxazol-2-ylsulfanyl)phenyl]propan-1-amine
CID 106923086
N-[[5-chloro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]ethanamine
CID 106926444
1-[5-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]butan-2-amine
CID 55201689
5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921307
1-[5-chloro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]-N-methylmethanamine
CID 106926417
(1S)-1-[5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine
CID 106923107
N-[[5-bromo-2-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine
CID 114062087
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
1-[5-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine
CID 114865883

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine?
The IUPAC name of 1-[5-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine (CID 114057670) is 1-[5-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[5-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine?
The canonical SMILES for 1-[5-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine is CCC(N)Cc1cc(C)ccc1Sc1ncco1.
What is the InChIKey of 1-[5-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine?
The InChIKey is GGUMTOKCVDQOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-12(15)9-11-8-10(2)4-5-13(11)18-14-16-6-7-17-14/h4-8,12H,3,9,15H2,1-2H3.
What are the key properties of 1-[5-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine?
1-[5-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine is sourced from PubChem (CID 114057670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).