2-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenoxy]-N-methylacetamide

C16H21N3O3 — CID 75461441

IUPAC2-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cccc(CNCc2c(C)noc2C)c1
InChIInChI=1S/C16H21N3O3/c1-11-15(12(2)22-19-11)9-18-8-13-5-4-6-14(7-13)21-10-16(20)17-3/h4-7,18H,8-10H2,1-3H3,(H,17,20)
InChIKeyMTNNVRZBVKWYIE-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.71
Rot. Bonds7

About 2-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenoxy]-N-methylacetamide

2-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenoxy]-N-methylacetamide (PubChem CID 75461441) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenoxy]-N-methylacetamide
PubChem CID75461441
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cccc(CNCc2c(C)noc2C)c1
InChIInChI=1S/C16H21N3O3/c1-11-15(12(2)22-19-11)9-18-8-13-5-4-6-14(7-13)21-10-16(20)17-3/h4-7,18H,8-10H2,1-3H3,(H,17,20)
InChIKeyMTNNVRZBVKWYIE-UHFFFAOYSA-N
XLogP1.71
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenoxy]-N-methylacetamide (CID 75461441) is 2-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenoxy]-N-methylacetamide is CNC(=O)COc1cccc(CNCc2c(C)noc2C)c1.
What is the InChIKey of 2-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenoxy]-N-methylacetamide?
The InChIKey is MTNNVRZBVKWYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-15(12(2)22-19-11)9-18-8-13-5-4-6-14(7-13)21-10-16(20)17-3/h4-7,18H,8-10H2,1-3H3,(H,17,20).
What are the key properties of 2-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenoxy]-N-methylacetamide?
2-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenoxy]-N-methylacetamide has a molecular weight of 303.36 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 75461441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).