5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid

C9H13N3O4 — CID 103238431

IUPAC5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCCNC(=O)CNCc1cc(C(=O)O)no1
InChIInChI=1S/C9H13N3O4/c1-2-11-8(13)5-10-4-6-3-7(9(14)15)12-16-6/h3,10H,2,4-5H2,1H3,(H,11,13)(H,14,15)
InChIKeyYQRYFGCBRXGBSF-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.40
Rot. Bonds6

About 5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid

5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 103238431) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID103238431
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCCNC(=O)CNCc1cc(C(=O)O)no1
InChIInChI=1S/C9H13N3O4/c1-2-11-8(13)5-10-4-6-3-7(9(14)15)12-16-6/h3,10H,2,4-5H2,1H3,(H,11,13)(H,14,15)
InChIKeyYQRYFGCBRXGBSF-UHFFFAOYSA-N
XLogP-0.40
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-hydroxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 103238258
6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904472
5-[[2-(carbamoylamino)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103262446
N-ethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]acetamide
CID 60695514
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103243727
5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103264279
5-[(4-hydroxybutylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 106842840
5-[[(1-ethylcyclopentyl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 114126003
N-ethyl-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 106370872
5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 61397567
5-[[(2-methylpropan-2-yl)oxyamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103261415
5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 114186501

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid (CID 103238431) is 5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid is CCNC(=O)CNCc1cc(C(=O)O)no1.
What is the InChIKey of 5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is YQRYFGCBRXGBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-2-11-8(13)5-10-4-6-3-7(9(14)15)12-16-6/h3,10H,2,4-5H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 227.22 g/mol, XLogP of -0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 103238431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).