5-[(3-chloro-1,2-oxazole-5-carbonyl)amino]pentanoic acid

C9H11ClN2O4 — CID 167823460

IUPAC5-[(3-chloro-1,2-oxazole-5-carbonyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1cc(Cl)no1
InChIInChI=1S/C9H11ClN2O4/c10-7-5-6(16-12-7)9(15)11-4-2-1-3-8(13)14/h5H,1-4H2,(H,11,15)(H,13,14)
InChIKeyRGSGGKVMXSMGGG-UHFFFAOYSA-N
MW246.65 g/mol
LogP1.31
Rot. Bonds6

About 5-[(3-chloro-1,2-oxazole-5-carbonyl)amino]pentanoic acid

5-[(3-chloro-1,2-oxazole-5-carbonyl)amino]pentanoic acid (PubChem CID 167823460) has the molecular formula C9H11ClN2O4 and a molecular weight of 246.65 g/mol. Its IUPAC name is 5-[(3-chloro-1,2-oxazole-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(3-chloro-1,2-oxazole-5-carbonyl)amino]pentanoic acid
PubChem CID167823460
Molecular FormulaC9H11ClN2O4
Molecular Weight246.65 g/mol
Exact Mass246.04
IUPAC Name5-[(3-chloro-1,2-oxazole-5-carbonyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1cc(Cl)no1
InChIInChI=1S/C9H11ClN2O4/c10-7-5-6(16-12-7)9(15)11-4-2-1-3-8(13)14/h5H,1-4H2,(H,11,15)(H,13,14)
InChIKeyRGSGGKVMXSMGGG-UHFFFAOYSA-N
XLogP1.31
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid
CID 119227538
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 62032150
3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
CID 137320445
5-[(4-chloro-1H-pyrrole-2-carbonyl)amino]pentanoic acid
CID 62034657
6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid
CID 28776987
7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid
CID 24695626
5-[(3,4-dichlorophenyl)carbamoylamino]pentanoic acid
CID 4083960
6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 43170031
5-[(3-bromo-4-chlorobenzoyl)amino]pentanoic acid
CID 107997905
6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid
CID 55161013
7-[(5-bromo-2-chlorobenzoyl)amino]heptanoic acid
CID 43240050

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-1,2-oxazole-5-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-[(3-chloro-1,2-oxazole-5-carbonyl)amino]pentanoic acid (CID 167823460) is 5-[(3-chloro-1,2-oxazole-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(3-chloro-1,2-oxazole-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-[(3-chloro-1,2-oxazole-5-carbonyl)amino]pentanoic acid is O=C(O)CCCCNC(=O)c1cc(Cl)no1.
What is the InChIKey of 5-[(3-chloro-1,2-oxazole-5-carbonyl)amino]pentanoic acid?
The InChIKey is RGSGGKVMXSMGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O4/c10-7-5-6(16-12-7)9(15)11-4-2-1-3-8(13)14/h5H,1-4H2,(H,11,15)(H,13,14).
What are the key properties of 5-[(3-chloro-1,2-oxazole-5-carbonyl)amino]pentanoic acid?
5-[(3-chloro-1,2-oxazole-5-carbonyl)amino]pentanoic acid has a molecular weight of 246.65 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-1,2-oxazole-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 167823460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).