4-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid

C14H20N2O5 — CID 115438216

IUPAC4-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESCCc1noc(C)c1C(=O)NCC1(C(=O)O)CCOCC1
InChIInChI=1S/C14H20N2O5/c1-3-10-11(9(2)21-16-10)12(17)15-8-14(13(18)19)4-6-20-7-5-14/h3-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyDIGYHZSQHKQBKM-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.16
Rot. Bonds5

About 4-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid

4-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid (PubChem CID 115438216) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
PubChem CID115438216
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name4-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESCCc1noc(C)c1C(=O)NCC1(C(=O)O)CCOCC1
InChIInChI=1S/C14H20N2O5/c1-3-10-11(9(2)21-16-10)12(17)15-8-14(13(18)19)4-6-20-7-5-14/h3-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyDIGYHZSQHKQBKM-UHFFFAOYSA-N
XLogP1.16
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 103848731
1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449567
1-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312008
4-[[(2-methylcyclopentene-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542195
tert-butyl N-[1-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptyl]carbamate
CID 31863964
4-[(propanoylamino)methyl]oxane-4-carboxylic acid
CID 115438294
3-ethyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 96996290
4-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 82809123
4-[[(5-ethylfuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438391
4-[[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541889
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
4-[[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid
CID 115440478

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid (CID 115438216) is 4-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid is CCc1noc(C)c1C(=O)NCC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The InChIKey is DIGYHZSQHKQBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-3-10-11(9(2)21-16-10)12(17)15-8-14(13(18)19)4-6-20-7-5-14/h3-8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 4-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid?
4-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid has a molecular weight of 296.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 115438216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).