benzyl 2-[[2-(1-aminoethyl)-1,3-oxazole-4-carbonyl]amino]propanoate

C16H19N3O4 — CID 5103806

IUPACbenzyl 2-[[2-(1-aminoethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
SMILESCC(NC(=O)c1coc(C(C)N)n1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H19N3O4/c1-10(17)15-19-13(9-22-15)14(20)18-11(2)16(21)23-8-12-6-4-3-5-7-12/h3-7,9-11H,8,17H2,1-2H3,(H,18,20)
InChIKeyLQTTVEIZSCSOCF-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.56
Rot. Bonds6

About benzyl 2-[[2-(1-aminoethyl)-1,3-oxazole-4-carbonyl]amino]propanoate

benzyl 2-[[2-(1-aminoethyl)-1,3-oxazole-4-carbonyl]amino]propanoate (PubChem CID 5103806) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is benzyl 2-[[2-(1-aminoethyl)-1,3-oxazole-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Namebenzyl 2-[[2-(1-aminoethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
PubChem CID5103806
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC Namebenzyl 2-[[2-(1-aminoethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
SMILESCC(NC(=O)c1coc(C(C)N)n1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H19N3O4/c1-10(17)15-19-13(9-22-15)14(20)18-11(2)16(21)23-8-12-6-4-3-5-7-12/h3-7,9-11H,8,17H2,1-2H3,(H,18,20)
InChIKeyLQTTVEIZSCSOCF-UHFFFAOYSA-N
XLogP1.56
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 2-[[2-(1-amino-2-phenylethyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoate
CID 3798181
benzyl 2-[[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoate
CID 3798249
2-(1-aminoethyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
CID 5103089
benzyl 2-[[2-(1-amino-2-hydroxyethyl)-1,3-oxazole-4-carbonyl]amino]-3-phenylpropanoate
CID 3596071
2-(1-aminoethyl)-N-(2,2-diphenylethyl)-1,3-oxazole-4-carboxamide
CID 3672043
benzyl N-[3-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate
CID 3850448
2-(1-amino-2-phenylethyl)-N-(3-methylbutan-2-yl)-1,3-oxazole-4-carboxamide
CID 3869671
2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide
CID 3836314
benzyl N-[3-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate
CID 3833643
(3R)-3-amino-4-oxo-4-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]butanoic acid
CID 102425705
2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
CID 3821910
methyl 2-[[2-(1-aminobutyl)-1,3-oxazole-4-carbonyl]amino]-3-phenylpropanoate
CID 3541503

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-(1-aminoethyl)-1,3-oxazole-4-carbonyl]amino]propanoate?
The IUPAC name of benzyl 2-[[2-(1-aminoethyl)-1,3-oxazole-4-carbonyl]amino]propanoate (CID 5103806) is benzyl 2-[[2-(1-aminoethyl)-1,3-oxazole-4-carbonyl]amino]propanoate.
What is the SMILES notation for benzyl 2-[[2-(1-aminoethyl)-1,3-oxazole-4-carbonyl]amino]propanoate?
The canonical SMILES for benzyl 2-[[2-(1-aminoethyl)-1,3-oxazole-4-carbonyl]amino]propanoate is CC(NC(=O)c1coc(C(C)N)n1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[2-(1-aminoethyl)-1,3-oxazole-4-carbonyl]amino]propanoate?
The InChIKey is LQTTVEIZSCSOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10(17)15-19-13(9-22-15)14(20)18-11(2)16(21)23-8-12-6-4-3-5-7-12/h3-7,9-11H,8,17H2,1-2H3,(H,18,20).
What are the key properties of benzyl 2-[[2-(1-aminoethyl)-1,3-oxazole-4-carbonyl]amino]propanoate?
benzyl 2-[[2-(1-aminoethyl)-1,3-oxazole-4-carbonyl]amino]propanoate has a molecular weight of 317.34 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[2-(1-aminoethyl)-1,3-oxazole-4-carbonyl]amino]propanoate is sourced from PubChem (CID 5103806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).