methyl 5-(aminomethyl)-3-(2-methoxy-4,5-dimethylphenyl)-4H-1,2-oxazole-5-carboxylate

C15H20N2O4 — CID 82371806

IUPACmethyl 5-(aminomethyl)-3-(2-methoxy-4,5-dimethylphenyl)-4H-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1(CN)CC(c2cc(C)c(C)cc2OC)=NO1
InChIInChI=1S/C15H20N2O4/c1-9-5-11(13(19-3)6-10(9)2)12-7-15(8-16,21-17-12)14(18)20-4/h5-6H,7-8,16H2,1-4H3
InChIKeySUESTOPBCJMXPQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.31
Rot. Bonds4

About methyl 5-(aminomethyl)-3-(2-methoxy-4,5-dimethylphenyl)-4H-1,2-oxazole-5-carboxylate

methyl 5-(aminomethyl)-3-(2-methoxy-4,5-dimethylphenyl)-4H-1,2-oxazole-5-carboxylate (PubChem CID 82371806) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 5-(aminomethyl)-3-(2-methoxy-4,5-dimethylphenyl)-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 5-(aminomethyl)-3-(2-methoxy-4,5-dimethylphenyl)-4H-1,2-oxazole-5-carboxylate
PubChem CID82371806
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl 5-(aminomethyl)-3-(2-methoxy-4,5-dimethylphenyl)-4H-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1(CN)CC(c2cc(C)c(C)cc2OC)=NO1
InChIInChI=1S/C15H20N2O4/c1-9-5-11(13(19-3)6-10(9)2)12-7-15(8-16,21-17-12)14(18)20-4/h5-6H,7-8,16H2,1-4H3
InChIKeySUESTOPBCJMXPQ-UHFFFAOYSA-N
XLogP1.31
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(aminomethyl)-3-(5-chloro-2-methylphenyl)-4H-1,2-oxazole-5-carboxylate
CID 82371789
5-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-4H-1,2-oxazole-5-carboxylic acid
CID 82371705
methyl 5-(aminomethyl)-3-(2-ethoxyphenyl)-4H-1,2-oxazole-5-carboxylate
CID 82371733
methyl 5-(aminomethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2-oxazole-5-carboxylate
CID 82371702
methyl 5-[(4,5-dimethoxy-2-nitrophenyl)methyl]-3-(2-fluorophenyl)-4H-1,2-oxazole-5-carboxylate
CID 25170460
methyl 3-(3-cyanophenyl)-5-(methoxymethyl)-4H-1,2-oxazole-5-carboxylate
CID 10707456
1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 115182516
ethyl 3-(3,5-difluorophenyl)-5-ethyl-4H-1,2-oxazole-5-carboxylate
CID 118268538
3-(2,5-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 103693699
(5R)-3-(2,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 95658937
methyl 3-(2-fluorophenyl)-5-[(2-nitrophenyl)methyl]-4H-1,2-oxazole-5-carboxylate
CID 25171927
ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-ethoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate
CID 59550971

Frequently Asked Questions

What is the IUPAC name of methyl 5-(aminomethyl)-3-(2-methoxy-4,5-dimethylphenyl)-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 5-(aminomethyl)-3-(2-methoxy-4,5-dimethylphenyl)-4H-1,2-oxazole-5-carboxylate (CID 82371806) is methyl 5-(aminomethyl)-3-(2-methoxy-4,5-dimethylphenyl)-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 5-(aminomethyl)-3-(2-methoxy-4,5-dimethylphenyl)-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 5-(aminomethyl)-3-(2-methoxy-4,5-dimethylphenyl)-4H-1,2-oxazole-5-carboxylate is COC(=O)C1(CN)CC(c2cc(C)c(C)cc2OC)=NO1.
What is the InChIKey of methyl 5-(aminomethyl)-3-(2-methoxy-4,5-dimethylphenyl)-4H-1,2-oxazole-5-carboxylate?
The InChIKey is SUESTOPBCJMXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-5-11(13(19-3)6-10(9)2)12-7-15(8-16,21-17-12)14(18)20-4/h5-6H,7-8,16H2,1-4H3.
What are the key properties of methyl 5-(aminomethyl)-3-(2-methoxy-4,5-dimethylphenyl)-4H-1,2-oxazole-5-carboxylate?
methyl 5-(aminomethyl)-3-(2-methoxy-4,5-dimethylphenyl)-4H-1,2-oxazole-5-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(aminomethyl)-3-(2-methoxy-4,5-dimethylphenyl)-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 82371806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).