N,3-dimethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylbutan-1-amine

C16H22N2OS — CID 106927798

IUPACN,3-dimethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylbutan-1-amine
SMILESCNC(c1ccccc1)C(Sc1nc(C)co1)C(C)C
InChIInChI=1S/C16H22N2OS/c1-11(2)15(20-16-18-12(3)10-19-16)14(17-4)13-8-6-5-7-9-13/h5-11,14-15,17H,1-4H3
InChIKeySTZKZOQIOQYKJA-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.06
Rot. Bonds6

About N,3-dimethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylbutan-1-amine

N,3-dimethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylbutan-1-amine (PubChem CID 106927798) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N,3-dimethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylbutan-1-amine
PubChem CID106927798
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN,3-dimethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylbutan-1-amine
SMILESCNC(c1ccccc1)C(Sc1nc(C)co1)C(C)C
InChIInChI=1S/C16H22N2OS/c1-11(2)15(20-16-18-12(3)10-19-16)14(17-4)13-8-6-5-7-9-13/h5-11,14-15,17H,1-4H3
InChIKeySTZKZOQIOQYKJA-UHFFFAOYSA-N
XLogP4.06
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylbutan-1-amine
CID 64628599
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylethanamine
CID 106922000
N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106927737
N,3-dimethyl-2-(3-methylbutan-2-ylsulfanyl)-1-phenylbutan-1-amine
CID 107763433
N,3-dimethyl-1-phenyl-2-thiophen-2-ylsulfanylbutan-1-amine
CID 64612750
N,3-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-amine
CID 64619465
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1-phenylpropan-1-amine
CID 64633701
2-(3-chlorophenyl)sulfanyl-N,3-dimethyl-1-phenylbutan-1-amine
CID 64633706
3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid
CID 106920797
N-methyl-1-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 65041054
N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine
CID 106925908
2-methyl-2-(methylamino)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid
CID 106925200

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylbutan-1-amine?
The IUPAC name of N,3-dimethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylbutan-1-amine (CID 106927798) is N,3-dimethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylbutan-1-amine?
The canonical SMILES for N,3-dimethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylbutan-1-amine is CNC(c1ccccc1)C(Sc1nc(C)co1)C(C)C.
What is the InChIKey of N,3-dimethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylbutan-1-amine?
The InChIKey is STZKZOQIOQYKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11(2)15(20-16-18-12(3)10-19-16)14(17-4)13-8-6-5-7-9-13/h5-11,14-15,17H,1-4H3.
What are the key properties of N,3-dimethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylbutan-1-amine?
N,3-dimethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylbutan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 106927798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).