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

C15H19N3O2 — CID 43739641

IUPACN-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCc2c(C)noc2C)c1
InChIInChI=1S/C15H19N3O2/c1-9-5-6-13(17-12(4)19)7-15(9)16-8-14-10(2)18-20-11(14)3/h5-7,16H,8H2,1-4H3,(H,17,19)
InChIKeyGICBCDNFXGIREB-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.17
Rot. Bonds4

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

N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylphenyl]acetamide (PubChem CID 43739641) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylphenyl]acetamide
PubChem CID43739641
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCc2c(C)noc2C)c1
InChIInChI=1S/C15H19N3O2/c1-9-5-6-13(17-12(4)19)7-15(9)16-8-14-10(2)18-20-11(14)3/h5-7,16H,8H2,1-4H3,(H,17,19)
InChIKeyGICBCDNFXGIREB-UHFFFAOYSA-N
XLogP3.17
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-fluorophenyl]acetamide
CID 34067729
methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylbenzoate
CID 36587966
N-(5-acetamido-2-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 60557374
N-(5-acetamido-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 46455012
N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
CID 43789839
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpyridin-3-amine
CID 63329724
N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 131952793
N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide
CID 43739569
N-[4-methyl-3-(1H-pyrrol-2-ylmethylamino)phenyl]acetamide
CID 55060453
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylaniline
CID 28780736
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide
CID 43739581
N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 115876077

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylphenyl]acetamide (CID 43739641) is N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)c(NCc2c(C)noc2C)c1.
What is the InChIKey of N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylphenyl]acetamide?
The InChIKey is GICBCDNFXGIREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-5-6-13(17-12(4)19)7-15(9)16-8-14-10(2)18-20-11(14)3/h5-7,16H,8H2,1-4H3,(H,17,19).
What are the key properties of N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylphenyl]acetamide?
N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylphenyl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylphenyl]acetamide is sourced from PubChem (CID 43739641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).