1-(4-ethylphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine

C15H20N2OS — CID 106927220

IUPAC1-(4-ethylphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
SMILESCCc1ccc(C(NC)C(C)Sc2ncco2)cc1
InChIInChI=1S/C15H20N2OS/c1-4-12-5-7-13(8-6-12)14(16-3)11(2)19-15-17-9-10-18-15/h5-11,14,16H,4H2,1-3H3
InChIKeyFLSRCRKUUAXWJX-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.68
Rot. Bonds6

About 1-(4-ethylphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine

1-(4-ethylphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine (PubChem CID 106927220) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
PubChem CID106927220
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name1-(4-ethylphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
SMILESCCc1ccc(C(NC)C(C)Sc2ncco2)cc1
InChIInChI=1S/C15H20N2OS/c1-4-12-5-7-13(8-6-12)14(16-3)11(2)19-15-17-9-10-18-15/h5-11,14,16H,4H2,1-3H3
InChIKeyFLSRCRKUUAXWJX-UHFFFAOYSA-N
XLogP3.68
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 64631469
1-(4-ethylphenyl)-2-(furan-2-ylmethylsulfanyl)-N-methylpropan-1-amine
CID 64610106
1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948027
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
CID 106925805
N-methyl-4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine
CID 106927457
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 106927981
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 106927283
N-[2-(1,3-oxazol-2-ylsulfanyl)propyl]butan-2-amine
CID 106925767
2-(2-methylpropylsulfanyl)-1,3-oxazole
CID 59202102
2-(1,3-oxazol-2-ylsulfanyl)butan-1-amine
CID 106923813
1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103309571
1-[4-ethoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine
CID 106927422

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine (CID 106927220) is 1-(4-ethylphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine is CCc1ccc(C(NC)C(C)Sc2ncco2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine?
The InChIKey is FLSRCRKUUAXWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-12-5-7-13(8-6-12)14(16-3)11(2)19-15-17-9-10-18-15/h5-11,14,16H,4H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine?
1-(4-ethylphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine has a molecular weight of 276.40 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 106927220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).