1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(3-methylphenyl)propan-2-amine

C15H20N2OS — CID 106922262

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(C(Sc2nc(C)c(C)o2)C(C)N)c1
InChIInChI=1S/C15H20N2OS/c1-9-6-5-7-13(8-9)14(10(2)16)19-15-17-11(3)12(4)18-15/h5-8,10,14H,16H2,1-4H3
InChIKeyNTZUZUNXEJTGCL-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.78
Rot. Bonds4

About 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(3-methylphenyl)propan-2-amine

1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(3-methylphenyl)propan-2-amine (PubChem CID 106922262) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(3-methylphenyl)propan-2-amine
PubChem CID106922262
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(C(Sc2nc(C)c(C)o2)C(C)N)c1
InChIInChI=1S/C15H20N2OS/c1-9-6-5-7-13(8-9)14(10(2)16)19-15-17-11(3)12(4)18-15/h5-8,10,14H,16H2,1-4H3
InChIKeyNTZUZUNXEJTGCL-UHFFFAOYSA-N
XLogP3.78
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-1-phenylsulfanylpropan-2-amine
CID 55020378
1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine
CID 62645584
1-(3-methylphenyl)-1-pyrimidin-4-ylsulfanylpropan-2-amine
CID 55232465
1-(3-methylphenyl)-1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine
CID 55020772
1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017009
1-(3-methylphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 62849104
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 106927981
(1R)-1-[3-chloro-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
CID 106923297
1-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017283
1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 55015807
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 106927931
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 45072365

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(3-methylphenyl)propan-2-amine?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(3-methylphenyl)propan-2-amine (CID 106922262) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(3-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(3-methylphenyl)propan-2-amine?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(3-methylphenyl)propan-2-amine is Cc1cccc(C(Sc2nc(C)c(C)o2)C(C)N)c1.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(3-methylphenyl)propan-2-amine?
The InChIKey is NTZUZUNXEJTGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-9-6-5-7-13(8-9)14(10(2)16)19-15-17-11(3)12(4)18-15/h5-8,10,14H,16H2,1-4H3.
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(3-methylphenyl)propan-2-amine?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(3-methylphenyl)propan-2-amine has a molecular weight of 276.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(3-methylphenyl)propan-2-amine is sourced from PubChem (CID 106922262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).