1-(2-bromophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine

C14H17BrN2OS — CID 106922077

IUPAC1-(2-bromophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
SMILESCCC(N)C(Sc1nc(C)co1)c1ccccc1Br
InChIInChI=1S/C14H17BrN2OS/c1-3-12(16)13(10-6-4-5-7-11(10)15)19-14-17-9(2)8-18-14/h4-8,12-13H,3,16H2,1-2H3
InChIKeyPHPFCRLQOUTDKI-UHFFFAOYSA-N
MW341.27 g/mol
LogP4.32
Rot. Bonds5

About 1-(2-bromophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine

1-(2-bromophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine (PubChem CID 106922077) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
PubChem CID106922077
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name1-(2-bromophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
SMILESCCC(N)C(Sc1nc(C)co1)c1ccccc1Br
InChIInChI=1S/C14H17BrN2OS/c1-3-12(16)13(10-6-4-5-7-11(10)15)19-14-17-9(2)8-18-14/h4-8,12-13H,3,16H2,1-2H3
InChIKeyPHPFCRLQOUTDKI-UHFFFAOYSA-N
XLogP4.32
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106922037
1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(2-fluorophenyl)butan-2-amine
CID 106922206
1-(2-bromophenyl)-1-(2-chlorophenyl)sulfanylbutan-2-amine
CID 63537237
1,1,1-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentan-3-amine
CID 106922139
1-(2-bromophenyl)-1-(oxan-4-ylsulfanyl)butan-2-amine
CID 62997494
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylethanamine
CID 106922000
1-(2-bromophenyl)-1-(2-methylsulfonylethylsulfanyl)butan-2-amine
CID 63658849
1-(4-chlorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine
CID 106922073
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide
CID 106922932
(1S)-1-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol
CID 106926965
1-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(2-methylphenyl)butan-2-amine
CID 62409748
3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921558

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine (CID 106922077) is 1-(2-bromophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine is CCC(N)C(Sc1nc(C)co1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine?
The InChIKey is PHPFCRLQOUTDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-3-12(16)13(10-6-4-5-7-11(10)15)19-14-17-9(2)8-18-14/h4-8,12-13H,3,16H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine?
1-(2-bromophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine has a molecular weight of 341.27 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine is sourced from PubChem (CID 106922077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).