methyl 4-(1-aminoethyl)-1,3-oxazole-2-carboxylate

C7H10N2O3 — CID 115013695

IUPACmethyl 4-(1-aminoethyl)-1,3-oxazole-2-carboxylate
SMILESCOC(=O)c1nc(C(C)N)co1
InChIInChI=1S/C7H10N2O3/c1-4(8)5-3-12-6(9-5)7(10)11-2/h3-4H,8H2,1-2H3
InChIKeyBBBQBTWDFFNSQL-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.48
Rot. Bonds2

About methyl 4-(1-aminoethyl)-1,3-oxazole-2-carboxylate

methyl 4-(1-aminoethyl)-1,3-oxazole-2-carboxylate (PubChem CID 115013695) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is methyl 4-(1-aminoethyl)-1,3-oxazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-aminoethyl)-1,3-oxazole-2-carboxylate
PubChem CID115013695
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Namemethyl 4-(1-aminoethyl)-1,3-oxazole-2-carboxylate
SMILESCOC(=O)c1nc(C(C)N)co1
InChIInChI=1S/C7H10N2O3/c1-4(8)5-3-12-6(9-5)7(10)11-2/h3-4H,8H2,1-2H3
InChIKeyBBBQBTWDFFNSQL-UHFFFAOYSA-N
XLogP0.48
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-1,3-oxazole-2-carboxylate
CID 146160567
4-propan-2-yl-1,3-oxazole-2-carboxylic acid
CID 46737737
methyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate
CID 85299406
1-[4-(difluoromethyl)-1,3-oxazol-2-yl]ethanone
CID 84764295
1-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine
CID 115084208
dimethyl 1,3,4-oxadiazole-2,5-dicarboxylate
CID 14088399
methyl 2-(1-chloroethyl)-1,3-oxazole-4-carboxylate
CID 131529915
1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084104
methyl 5-propan-2-yl-1,3,4-oxadiazole-2-carboxylate
CID 112618977
methyl 5-(5-methylfuran-3-yl)-1,3,4-oxadiazole-2-carboxylate
CID 114822236
methyl 2-(1-bromo-2-methylpropyl)-1,3-oxazole-4-carboxylate
CID 10515587
methyl 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]acetate
CID 115021994

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-aminoethyl)-1,3-oxazole-2-carboxylate?
The IUPAC name of methyl 4-(1-aminoethyl)-1,3-oxazole-2-carboxylate (CID 115013695) is methyl 4-(1-aminoethyl)-1,3-oxazole-2-carboxylate.
What is the SMILES notation for methyl 4-(1-aminoethyl)-1,3-oxazole-2-carboxylate?
The canonical SMILES for methyl 4-(1-aminoethyl)-1,3-oxazole-2-carboxylate is COC(=O)c1nc(C(C)N)co1.
What is the InChIKey of methyl 4-(1-aminoethyl)-1,3-oxazole-2-carboxylate?
The InChIKey is BBBQBTWDFFNSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-4(8)5-3-12-6(9-5)7(10)11-2/h3-4H,8H2,1-2H3.
What are the key properties of methyl 4-(1-aminoethyl)-1,3-oxazole-2-carboxylate?
methyl 4-(1-aminoethyl)-1,3-oxazole-2-carboxylate has a molecular weight of 170.17 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-aminoethyl)-1,3-oxazole-2-carboxylate is sourced from PubChem (CID 115013695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).