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

C11H17N3O4 — CID 106374706

IUPAC2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)NCc1ncc(C)o1)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-3-4-8(10(15)16)14-11(17)13-6-9-12-5-7(2)18-9/h5,8H,3-4,6H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyPYXWGKRINLWERA-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.04
Rot. Bonds6

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

2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid (PubChem CID 106374706) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid
PubChem CID106374706
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)NCc1ncc(C)o1)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-3-4-8(10(15)16)14-11(17)13-6-9-12-5-7(2)18-9/h5,8H,3-4,6H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyPYXWGKRINLWERA-UHFFFAOYSA-N
XLogP1.04
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanoic acid
CID 106374501
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid
CID 106374475
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374246
(2S)-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 94913044
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
CID 106374600
3-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexanamide
CID 106371365
(2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 106374056
2-[(5-bromo-2-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 113454090

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of 2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid (CID 106374706) is 2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for 2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid is CCCC(NC(=O)NCc1ncc(C)o1)C(=O)O.
What is the InChIKey of 2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid?
The InChIKey is PYXWGKRINLWERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-3-4-8(10(15)16)14-11(17)13-6-9-12-5-7(2)18-9/h5,8H,3-4,6H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid?
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid has a molecular weight of 255.27 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 106374706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).