2-methyl-N-[2-[5-(2-methylsulfanylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine

C16H22N2OS — CID 79206242

IUPAC2-methyl-N-[2-[5-(2-methylsulfanylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
SMILESCSc1ccccc1-c1cnc(CCNC(C)(C)C)o1
InChIInChI=1S/C16H22N2OS/c1-16(2,3)18-10-9-15-17-11-13(19-15)12-7-5-6-8-14(12)20-4/h5-8,11,18H,9-10H2,1-4H3
InChIKeyTUNXBPDUABKGBD-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.99
Rot. Bonds5

About 2-methyl-N-[2-[5-(2-methylsulfanylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine

2-methyl-N-[2-[5-(2-methylsulfanylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine (PubChem CID 79206242) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-methyl-N-[2-[5-(2-methylsulfanylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[5-(2-methylsulfanylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
PubChem CID79206242
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-methyl-N-[2-[5-(2-methylsulfanylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
SMILESCSc1ccccc1-c1cnc(CCNC(C)(C)C)o1
InChIInChI=1S/C16H22N2OS/c1-16(2,3)18-10-9-15-17-11-13(19-15)12-7-5-6-8-14(12)20-4/h5-8,11,18H,9-10H2,1-4H3
InChIKeyTUNXBPDUABKGBD-UHFFFAOYSA-N
XLogP3.99
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[5-(2-methylsulfanylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[5-(2-methylsulfanylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine (CID 79206242) is 2-methyl-N-[2-[5-(2-methylsulfanylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[5-(2-methylsulfanylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[5-(2-methylsulfanylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine is CSc1ccccc1-c1cnc(CCNC(C)(C)C)o1.
What is the InChIKey of 2-methyl-N-[2-[5-(2-methylsulfanylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
The InChIKey is TUNXBPDUABKGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-16(2,3)18-10-9-15-17-11-13(19-15)12-7-5-6-8-14(12)20-4/h5-8,11,18H,9-10H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[5-(2-methylsulfanylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
2-methyl-N-[2-[5-(2-methylsulfanylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine has a molecular weight of 290.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[5-(2-methylsulfanylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 79206242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).