2-methyl-N-[[5-(2-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine

C15H20N2OS — CID 79212909

IUPAC2-methyl-N-[[5-(2-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCSc1ccccc1-c1ocnc1CNC(C)(C)C
InChIInChI=1S/C15H20N2OS/c1-15(2,3)17-9-12-14(18-10-16-12)11-7-5-6-8-13(11)19-4/h5-8,10,17H,9H2,1-4H3
InChIKeyYUCHHTKVKPZBEY-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.95
Rot. Bonds4

About 2-methyl-N-[[5-(2-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[5-(2-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine (PubChem CID 79212909) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-methyl-N-[[5-(2-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(2-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
PubChem CID79212909
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name2-methyl-N-[[5-(2-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCSc1ccccc1-c1ocnc1CNC(C)(C)C
InChIInChI=1S/C15H20N2OS/c1-15(2,3)17-9-12-14(18-10-16-12)11-7-5-6-8-13(11)19-4/h5-8,10,17H,9H2,1-4H3
InChIKeyYUCHHTKVKPZBEY-UHFFFAOYSA-N
XLogP3.95
TPSA38.06 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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(2-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(2-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine (CID 79212909) is 2-methyl-N-[[5-(2-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(2-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(2-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine is CSc1ccccc1-c1ocnc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[5-(2-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The InChIKey is YUCHHTKVKPZBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-15(2,3)17-9-12-14(18-10-16-12)11-7-5-6-8-13(11)19-4/h5-8,10,17H,9H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-(2-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(2-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine has a molecular weight of 276.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(2-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 79212909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).