6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]hexanoic acid

C13H21N3O4 — CID 79241741

IUPAC6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]hexanoic acid
SMILESCc1noc(C)c1CNC(=O)NCCCCCC(=O)O
InChIInChI=1S/C13H21N3O4/c1-9-11(10(2)20-16-9)8-15-13(19)14-7-5-3-4-6-12(17)18/h3-8H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyRMPPHCPANJXHPF-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.74
Rot. Bonds8

About 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]hexanoic acid

6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]hexanoic acid (PubChem CID 79241741) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]hexanoic acid
PubChem CID79241741
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]hexanoic acid
SMILESCc1noc(C)c1CNC(=O)NCCCCCC(=O)O
InChIInChI=1S/C13H21N3O4/c1-9-11(10(2)20-16-9)8-15-13(19)14-7-5-3-4-6-12(17)18/h3-8H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyRMPPHCPANJXHPF-UHFFFAOYSA-N
XLogP1.74
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethyl)urea
CID 47856555
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 79242130
5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 62032150
4-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-oxopentanoic acid
CID 79235985
1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434434
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid
CID 16770026
2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 79242133
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
7-(1,2-oxazol-3-ylmethylcarbamoylamino)heptanoic acid
CID 81177356
7-(1,2-oxazol-5-ylmethylcarbamoylamino)heptanoic acid
CID 114186663
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 47862975
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111976785

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]hexanoic acid?
The IUPAC name of 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]hexanoic acid (CID 79241741) is 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]hexanoic acid.
What is the SMILES notation for 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]hexanoic acid?
The canonical SMILES for 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]hexanoic acid is Cc1noc(C)c1CNC(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]hexanoic acid?
The InChIKey is RMPPHCPANJXHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-9-11(10(2)20-16-9)8-15-13(19)14-7-5-3-4-6-12(17)18/h3-8H2,1-2H3,(H,17,18)(H2,14,15,19).
What are the key properties of 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]hexanoic acid?
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]hexanoic acid has a molecular weight of 283.33 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 79241741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).