3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanoic acid

C12H19N3O4 — CID 106374501

IUPAC3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)NCc1ncc(C)o1
InChIInChI=1S/C12H19N3O4/c1-3-4-9(5-11(16)17)15-12(18)14-7-10-13-6-8(2)19-10/h6,9H,3-5,7H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyYOYLFMMAEHZIKL-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.43
Rot. Bonds7

About 3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanoic acid

3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanoic acid (PubChem CID 106374501) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanoic acid
PubChem CID106374501
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)NCc1ncc(C)o1
InChIInChI=1S/C12H19N3O4/c1-3-4-9(5-11(16)17)15-12(18)14-7-10-13-6-8(2)19-10/h6,9H,3-5,7H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyYOYLFMMAEHZIKL-UHFFFAOYSA-N
XLogP1.43
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid
CID 106374706
(2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374415
(2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid
CID 106374550
(2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanedioic acid
CID 106374611
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
CID 106374600
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
3-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexanamide
CID 106371365
3-methoxy-4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 114180678
5-methyl-3-[[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]methyl]hexanoic acid
CID 106374847
2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid
CID 106374475
3-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid
CID 114186675
2-[carboxymethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]acetic acid
CID 114180679

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanoic acid?
The IUPAC name of 3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanoic acid (CID 106374501) is 3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanoic acid.
What is the SMILES notation for 3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanoic acid?
The canonical SMILES for 3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanoic acid is CCCC(CC(=O)O)NC(=O)NCc1ncc(C)o1.
What is the InChIKey of 3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanoic acid?
The InChIKey is YOYLFMMAEHZIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-3-4-9(5-11(16)17)15-12(18)14-7-10-13-6-8(2)19-10/h6,9H,3-5,7H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanoic acid?
3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanoic acid has a molecular weight of 269.30 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 106374501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).