N-methyl-N-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]phenyl]acetamide

C20H21N3O2 — CID 100625375

IUPACN-methyl-N-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]phenyl]acetamide
SMILESCC(=O)N(C)c1ccccc1NCc1cc(-c2ccc(C)cc2)no1
InChIInChI=1S/C20H21N3O2/c1-14-8-10-16(11-9-14)19-12-17(25-22-19)13-21-18-6-4-5-7-20(18)23(3)15(2)24/h4-12,21H,13H2,1-3H3
InChIKeyPDSIMDDOOHDZRG-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.24
Rot. Bonds5

About N-methyl-N-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]phenyl]acetamide

N-methyl-N-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]phenyl]acetamide (PubChem CID 100625375) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-methyl-N-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]phenyl]acetamide
PubChem CID100625375
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-methyl-N-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]phenyl]acetamide
SMILESCC(=O)N(C)c1ccccc1NCc1cc(-c2ccc(C)cc2)no1
InChIInChI=1S/C20H21N3O2/c1-14-8-10-16(11-9-14)19-12-17(25-22-19)13-21-18-6-4-5-7-20(18)23(3)15(2)24/h4-12,21H,13H2,1-3H3
InChIKeyPDSIMDDOOHDZRG-UHFFFAOYSA-N
XLogP4.24
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]phenyl]acetamide?
The IUPAC name of N-methyl-N-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]phenyl]acetamide (CID 100625375) is N-methyl-N-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]phenyl]acetamide?
The canonical SMILES for N-methyl-N-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]phenyl]acetamide is CC(=O)N(C)c1ccccc1NCc1cc(-c2ccc(C)cc2)no1.
What is the InChIKey of N-methyl-N-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]phenyl]acetamide?
The InChIKey is PDSIMDDOOHDZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-8-10-16(11-9-14)19-12-17(25-22-19)13-21-18-6-4-5-7-20(18)23(3)15(2)24/h4-12,21H,13H2,1-3H3.
What are the key properties of N-methyl-N-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]phenyl]acetamide?
N-methyl-N-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]phenyl]acetamide has a molecular weight of 335.41 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]phenyl]acetamide is sourced from PubChem (CID 100625375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).