3-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid

C11H17N3O4 — CID 114186675

IUPAC3-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)NCc1ccno1
InChIInChI=1S/C11H17N3O4/c1-2-3-8(6-10(15)16)14-11(17)12-7-9-4-5-13-18-9/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)(H2,12,14,17)
InChIKeyQPOWUFGMISPTKH-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.12
Rot. Bonds7

About 3-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid

3-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid (PubChem CID 114186675) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name3-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid
PubChem CID114186675
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name3-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)NCc1ccno1
InChIInChI=1S/C11H17N3O4/c1-2-3-8(6-10(15)16)14-11(17)12-7-9-4-5-13-18-9/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)(H2,12,14,17)
InChIKeyQPOWUFGMISPTKH-UHFFFAOYSA-N
XLogP1.12
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid
CID 106421246
(2S)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid
CID 106421211
3,3-dimethyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid
CID 106421303
3-amino-N-(1,2-oxazol-5-ylmethyl)hexanamide
CID 106417077
(2R)-4-amino-2-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 106421305
1-butyl-3-(1,2-oxazol-5-ylmethyl)urea
CID 106415574
(2R)-4-methylsulfanyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid
CID 106421210
3-methyl-3-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid
CID 106421030
2-(1,2-oxazol-5-ylmethylcarbamoylamino)-2-phenylacetic acid
CID 106420891
3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanoic acid
CID 106374501
2-[1,2-oxazol-5-ylmethylcarbamoyl(propyl)amino]acetic acid
CID 106421256
(2R)-3-(1H-imidazol-5-yl)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid
CID 106421215

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid?
The IUPAC name of 3-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid (CID 114186675) is 3-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 3-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid?
The canonical SMILES for 3-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid is CCCC(CC(=O)O)NC(=O)NCc1ccno1.
What is the InChIKey of 3-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid?
The InChIKey is QPOWUFGMISPTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-2-3-8(6-10(15)16)14-11(17)12-7-9-4-5-13-18-9/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)(H2,12,14,17).
What are the key properties of 3-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid?
3-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid has a molecular weight of 255.27 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 114186675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).