1-[4-azido-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid

C16H17ClN6O3 — CID 141166084

IUPAC1-[4-azido-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid
SMILESCCc1cnc(-c2cnc(N3CCC(C(=O)O)CC3)c(Cl)c2N=[N+]=[N-])o1
InChIInChI=1S/C16H17ClN6O3/c1-2-10-7-20-15(26-10)11-8-19-14(12(17)13(11)21-22-18)23-5-3-9(4-6-23)16(24)25/h7-9H,2-6H2,1H3,(H,24,25)
InChIKeyAKSOUEPGPZMTOR-UHFFFAOYSA-N
MW376.80 g/mol
LogP4.20
Rot. Bonds5

About 1-[4-azido-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid

1-[4-azido-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 141166084) has the molecular formula C16H17ClN6O3 and a molecular weight of 376.80 g/mol. Its IUPAC name is 1-[4-azido-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-azido-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid
PubChem CID141166084
Molecular FormulaC16H17ClN6O3
Molecular Weight376.80 g/mol
Exact Mass376.11
IUPAC Name1-[4-azido-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid
SMILESCCc1cnc(-c2cnc(N3CCC(C(=O)O)CC3)c(Cl)c2N=[N+]=[N-])o1
InChIInChI=1S/C16H17ClN6O3/c1-2-10-7-20-15(26-10)11-8-19-14(12(17)13(11)21-22-18)23-5-3-9(4-6-23)16(24)25/h7-9H,2-6H2,1H3,(H,24,25)
InChIKeyAKSOUEPGPZMTOR-UHFFFAOYSA-N
XLogP4.20
TPSA128.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-[4-azido-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]piperidine-4-carboxylic acid
CID 68910979
1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]-N-[3-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide
CID 174535790
2-(2-azido-5-chloro-3-pyridinyl)-5-ethyl-1,3-oxazole
CID 141150869
1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-methylsulfinyl-2-pyridinyl]-N-[1-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide
CID 174550141
1-(5-amino-2-chloropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 18801422
1-[3-acetamido-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 68911584
1-(3-chloro-5-propan-2-yl-2-pyridinyl)piperidine-4-carboxylic acid
CID 146177851
1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-[1-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide
CID 174535835
1-[3-(5-ethyl-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 45267519
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid
CID 80758601
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
1-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 94075608

Frequently Asked Questions

What is the IUPAC name of 1-[4-azido-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-azido-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid (CID 141166084) is 1-[4-azido-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-azido-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-azido-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid is CCc1cnc(-c2cnc(N3CCC(C(=O)O)CC3)c(Cl)c2N=[N+]=[N-])o1.
What is the InChIKey of 1-[4-azido-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is AKSOUEPGPZMTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O3/c1-2-10-7-20-15(26-10)11-8-19-14(12(17)13(11)21-22-18)23-5-3-9(4-6-23)16(24)25/h7-9H,2-6H2,1H3,(H,24,25).
What are the key properties of 1-[4-azido-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid?
1-[4-azido-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 376.80 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-azido-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 141166084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).