methyl 5-(aminomethyl)-1,3-oxazole-4-carboxylate;hydrochloride

C6H9ClN2O3 — CID 110210984

IUPACmethyl 5-(aminomethyl)-1,3-oxazole-4-carboxylate;hydrochloride
SMILESCOC(=O)c1ncoc1CN.Cl
InChIInChI=1S/C6H8N2O3.ClH/c1-10-6(9)5-4(2-7)11-3-8-5;/h3H,2,7H2,1H3;1H
InChIKeyDWHJLTWDXWXQSJ-UHFFFAOYSA-N
MW192.60 g/mol
LogP0.34
Rot. Bonds2

About methyl 5-(aminomethyl)-1,3-oxazole-4-carboxylate;hydrochloride

methyl 5-(aminomethyl)-1,3-oxazole-4-carboxylate;hydrochloride (PubChem CID 110210984) has the molecular formula C6H9ClN2O3 and a molecular weight of 192.60 g/mol. Its IUPAC name is methyl 5-(aminomethyl)-1,3-oxazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-(aminomethyl)-1,3-oxazole-4-carboxylate;hydrochloride
PubChem CID110210984
Molecular FormulaC6H9ClN2O3
Molecular Weight192.60 g/mol
Exact Mass192.03
IUPAC Namemethyl 5-(aminomethyl)-1,3-oxazole-4-carboxylate;hydrochloride
SMILESCOC(=O)c1ncoc1CN.Cl
InChIInChI=1S/C6H8N2O3.ClH/c1-10-6(9)5-4(2-7)11-3-8-5;/h3H,2,7H2,1H3;1H
InChIKeyDWHJLTWDXWXQSJ-UHFFFAOYSA-N
XLogP0.34
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.60
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[(5-bromo-2-chlorophenyl)methyl]-1,3-oxazole-4-carboxylate
CID 66608182
5-methoxycarbonyl-1,3-oxazole-4-carboxylic acid
CID 130140430
methyl 5-(aminomethyl)pyrazine-2-carboxylate;hydrochloride
CID 67079097
methyl 5-(4-chlorophenyl)-1,3-oxazole-4-carboxylate
CID 11846342
methyl 2-(3-aminopropyl)-1,3-oxazole-5-carboxylate
CID 105441021
5-(2-aminoethyl)-1,3-oxazole-4-carboxylic acid
CID 117275266
methyl 5-[3-(5-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]-1,3-oxazole-4-carboxylate
CID 166373710
methyl 5-[3-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-3-oxopropyl]-1,3-oxazole-4-carboxylate
CID 122153721
methyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 105434387
methyl 4-chloro-1,3-oxazole-5-carboxylate
CID 131699557
methyl 5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 54540338
methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate
CID 117275720

Frequently Asked Questions

What is the IUPAC name of methyl 5-(aminomethyl)-1,3-oxazole-4-carboxylate;hydrochloride?
The IUPAC name of methyl 5-(aminomethyl)-1,3-oxazole-4-carboxylate;hydrochloride (CID 110210984) is methyl 5-(aminomethyl)-1,3-oxazole-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-(aminomethyl)-1,3-oxazole-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-(aminomethyl)-1,3-oxazole-4-carboxylate;hydrochloride is COC(=O)c1ncoc1CN.Cl.
What is the InChIKey of methyl 5-(aminomethyl)-1,3-oxazole-4-carboxylate;hydrochloride?
The InChIKey is DWHJLTWDXWXQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3.ClH/c1-10-6(9)5-4(2-7)11-3-8-5;/h3H,2,7H2,1H3;1H.
What are the key properties of methyl 5-(aminomethyl)-1,3-oxazole-4-carboxylate;hydrochloride?
methyl 5-(aminomethyl)-1,3-oxazole-4-carboxylate;hydrochloride has a molecular weight of 192.60 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(aminomethyl)-1,3-oxazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 110210984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).