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

C14H18N2O4 — CID 82371733

IUPACmethyl 5-(aminomethyl)-3-(2-ethoxyphenyl)-4H-1,2-oxazole-5-carboxylate
SMILESCCOc1ccccc1C1=NOC(CN)(C(=O)OC)C1
InChIInChI=1S/C14H18N2O4/c1-3-19-12-7-5-4-6-10(12)11-8-14(9-15,20-16-11)13(17)18-2/h4-7H,3,8-9,15H2,1-2H3
InChIKeyRUWTXMNTHWOYGI-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.08
Rot. Bonds5

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

methyl 5-(aminomethyl)-3-(2-ethoxyphenyl)-4H-1,2-oxazole-5-carboxylate (PubChem CID 82371733) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 5-(aminomethyl)-3-(2-ethoxyphenyl)-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 5-(aminomethyl)-3-(2-ethoxyphenyl)-4H-1,2-oxazole-5-carboxylate
PubChem CID82371733
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 5-(aminomethyl)-3-(2-ethoxyphenyl)-4H-1,2-oxazole-5-carboxylate
SMILESCCOc1ccccc1C1=NOC(CN)(C(=O)OC)C1
InChIInChI=1S/C14H18N2O4/c1-3-19-12-7-5-4-6-10(12)11-8-14(9-15,20-16-11)13(17)18-2/h4-7H,3,8-9,15H2,1-2H3
InChIKeyRUWTXMNTHWOYGI-UHFFFAOYSA-N
XLogP1.08
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(3-acetamidophenyl)-5-(aminomethyl)-4H-1,2-oxazole-5-carboxylate
CID 82371729
5-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-4H-1,2-oxazole-5-carboxylic acid
CID 82371705
(5R)-3-(2-methoxyphenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide
CID 97465817
methyl 3-(2-fluorophenyl)-5-[(2-nitrophenyl)methyl]-4H-1,2-oxazole-5-carboxylate
CID 25171927
(5S)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 7263720
methyl 5-[(4,5-dimethoxy-2-nitrophenyl)methyl]-3-(2-fluorophenyl)-4H-1,2-oxazole-5-carboxylate
CID 25170460
methyl 5-amino-2-(2-ethoxyphenyl)benzoate
CID 168665379
(5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide
CID 97465838
ethyl 5-ethyl-3-naphthalen-2-yl-4H-1,2-oxazole-5-carboxylate
CID 68830519
methyl 3-[(1S)-1-aminoethyl]-5-benzyl-4H-1,2-oxazole-5-carboxylate;hydrochloride
CID 163398898
(5S)-3-(2-methoxyphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-4H-1,2-oxazole-5-carboxamide
CID 97465804
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 115534402

Frequently Asked Questions

What is the IUPAC name of methyl 5-(aminomethyl)-3-(2-ethoxyphenyl)-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 5-(aminomethyl)-3-(2-ethoxyphenyl)-4H-1,2-oxazole-5-carboxylate (CID 82371733) is methyl 5-(aminomethyl)-3-(2-ethoxyphenyl)-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 5-(aminomethyl)-3-(2-ethoxyphenyl)-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 5-(aminomethyl)-3-(2-ethoxyphenyl)-4H-1,2-oxazole-5-carboxylate is CCOc1ccccc1C1=NOC(CN)(C(=O)OC)C1.
What is the InChIKey of methyl 5-(aminomethyl)-3-(2-ethoxyphenyl)-4H-1,2-oxazole-5-carboxylate?
The InChIKey is RUWTXMNTHWOYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-3-19-12-7-5-4-6-10(12)11-8-14(9-15,20-16-11)13(17)18-2/h4-7H,3,8-9,15H2,1-2H3.
What are the key properties of methyl 5-(aminomethyl)-3-(2-ethoxyphenyl)-4H-1,2-oxazole-5-carboxylate?
methyl 5-(aminomethyl)-3-(2-ethoxyphenyl)-4H-1,2-oxazole-5-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 1.08, 5 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-ethoxyphenyl)-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 82371733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).