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

C15H18N2O3 — CID 36587966

IUPACmethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NCc2c(C)noc2C)c1
InChIInChI=1S/C15H18N2O3/c1-9-5-6-12(15(18)19-4)7-14(9)16-8-13-10(2)17-20-11(13)3/h5-7,16H,8H2,1-4H3
InChIKeyUQUWMXUXXRQEQA-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.00
Rot. Bonds4

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

methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylbenzoate (PubChem CID 36587966) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylbenzoate
PubChem CID36587966
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NCc2c(C)noc2C)c1
InChIInChI=1S/C15H18N2O3/c1-9-5-6-12(15(18)19-4)7-14(9)16-8-13-10(2)17-20-11(13)3/h5-7,16H,8H2,1-4H3
InChIKeyUQUWMXUXXRQEQA-UHFFFAOYSA-N
XLogP3.00
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylbenzoate
CID 17417015
N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylphenyl]acetamide
CID 43739641
methyl 3-[(3,5-dimethylphenyl)methylamino]-4-methylbenzoate
CID 60690722
methyl 3-[(2,6-difluorophenyl)methylamino]-4-methylbenzoate
CID 43680485
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 51126970
methyl 3-[(3-fluoro-4-methylphenyl)methylamino]-4-methylbenzoate
CID 63644860
methyl 4-methyl-3-[(3-methylthiophen-2-yl)methylamino]benzoate
CID 43680502
methyl 3-[(3-chloro-4-methylphenyl)methylamino]-4-methylbenzoate
CID 106816300
methyl 3-methyl-4-[(3,5,6-trimethylpyrazin-2-yl)methylamino]benzoate
CID 174534695
methyl 3-(2,2-dimethoxyethylamino)-4-methylbenzoate
CID 63685165
methyl 3-[(2-hydroxy-2-methylpropyl)amino]-4-methylbenzoate
CID 22287213
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700407

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylbenzoate?
The IUPAC name of methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylbenzoate (CID 36587966) is methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NCc2c(C)noc2C)c1.
What is the InChIKey of methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylbenzoate?
The InChIKey is UQUWMXUXXRQEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-5-6-12(15(18)19-4)7-14(9)16-8-13-10(2)17-20-11(13)3/h5-7,16H,8H2,1-4H3.
What are the key properties of methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylbenzoate?
methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylbenzoate has a molecular weight of 274.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylbenzoate is sourced from PubChem (CID 36587966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).