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

C15H18N2O4 — CID 99824042

IUPACmethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(NCc2nc(C)c(C)o2)c(OC)c1
InChIInChI=1S/C15H18N2O4/c1-9-10(2)21-14(17-9)8-16-12-6-5-11(15(18)20-4)7-13(12)19-3/h5-7,16H,8H2,1-4H3
InChIKeyNVPTUCHLHFGYSK-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.70
Rot. Bonds5

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

methyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxybenzoate (PubChem CID 99824042) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxybenzoate
PubChem CID99824042
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(NCc2nc(C)c(C)o2)c(OC)c1
InChIInChI=1S/C15H18N2O4/c1-9-10(2)21-14(17-9)8-16-12-6-5-11(15(18)20-4)7-13(12)19-3/h5-7,16H,8H2,1-4H3
InChIKeyNVPTUCHLHFGYSK-UHFFFAOYSA-N
XLogP2.70
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 87043417
5-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxyaniline
CID 54968321
3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzamide
CID 106369913
3-cyclopentyloxy-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzamide
CID 75503642
methyl 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoate
CID 106376452
methyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate
CID 106376422
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 87043392
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoic acid
CID 114180477
methyl 3-methyl-4-[(3,5,6-trimethylpyrazin-2-yl)methylamino]benzoate
CID 174534695
1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 106369939
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-4-nitrobenzamide
CID 106374095
methyl 4-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzoate
CID 114180877

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxybenzoate?
The IUPAC name of methyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxybenzoate (CID 99824042) is methyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxybenzoate.
What is the SMILES notation for methyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxybenzoate?
The canonical SMILES for methyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxybenzoate is COC(=O)c1ccc(NCc2nc(C)c(C)o2)c(OC)c1.
What is the InChIKey of methyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxybenzoate?
The InChIKey is NVPTUCHLHFGYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9-10(2)21-14(17-9)8-16-12-6-5-11(15(18)20-4)7-13(12)19-3/h5-7,16H,8H2,1-4H3.
What are the key properties of methyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxybenzoate?
methyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxybenzoate has a molecular weight of 290.32 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxybenzoate is sourced from PubChem (CID 99824042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).