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

C15H19N3O2S — CID 2438629

IUPAC2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCSc1ccc(CN(C)CC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C15H19N3O2S/c1-11-8-14(17-20-11)16-15(19)10-18(2)9-12-4-6-13(21-3)7-5-12/h4-8H,9-10H2,1-3H3,(H,16,17,19)
InChIKeyONDMUMXSOPLQMC-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.78
Rot. Bonds6

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

2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2438629) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2438629
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCSc1ccc(CN(C)CC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C15H19N3O2S/c1-11-8-14(17-20-11)16-15(19)10-18(2)9-12-4-6-13(21-3)7-5-12/h4-8H,9-10H2,1-3H3,(H,16,17,19)
InChIKeyONDMUMXSOPLQMC-UHFFFAOYSA-N
XLogP2.78
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 36799477
N-(2-fluoro-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 9221410
2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 135099990
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-phenylacetamide
CID 51282195
ethyl 2-[(4-fluorophenyl)methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetate
CID 49435954
2-[(5-bromopyrimidin-2-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 146139528
N-(3-chloro-2-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 2472619
N-(3,4-dimethoxyphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 9199146
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl(prop-2-ynyl)amino]acetamide
CID 146084098
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid
CID 43386086
4-(diethylaminomethyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 46477484
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-propylacetamide
CID 40717922

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2438629) is 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CSc1ccc(CN(C)CC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is ONDMUMXSOPLQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-8-14(17-20-11)16-15(19)10-18(2)9-12-4-6-13(21-3)7-5-12/h4-8H,9-10H2,1-3H3,(H,16,17,19).
What are the key properties of 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 305.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2438629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).