carbon dioxide;2-chloro-5-(4-ethyl-1,3-oxazol-2-yl)-N-propan-2-ylpyridin-4-amine

C14H16ClN3O3 — CID 158890623

IUPACcarbon dioxide;2-chloro-5-(4-ethyl-1,3-oxazol-2-yl)-N-propan-2-ylpyridin-4-amine
SMILESCCc1coc(-c2cnc(Cl)cc2NC(C)C)n1.O=C=O
InChIInChI=1S/C13H16ClN3O.CO2/c1-4-9-7-18-13(17-9)10-6-15-12(14)5-11(10)16-8(2)3;2-1-3/h5-8H,4H2,1-3H3,(H,15,16);
InChIKeyJEEKUHSPBFPJBF-UHFFFAOYSA-N
MW309.75 g/mol
LogP3.19
Rot. Bonds4

About carbon dioxide;2-chloro-5-(4-ethyl-1,3-oxazol-2-yl)-N-propan-2-ylpyridin-4-amine

carbon dioxide;2-chloro-5-(4-ethyl-1,3-oxazol-2-yl)-N-propan-2-ylpyridin-4-amine (PubChem CID 158890623) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is carbon dioxide;2-chloro-5-(4-ethyl-1,3-oxazol-2-yl)-N-propan-2-ylpyridin-4-amine.

Molecular Properties

Compound Namecarbon dioxide;2-chloro-5-(4-ethyl-1,3-oxazol-2-yl)-N-propan-2-ylpyridin-4-amine
PubChem CID158890623
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Namecarbon dioxide;2-chloro-5-(4-ethyl-1,3-oxazol-2-yl)-N-propan-2-ylpyridin-4-amine
SMILESCCc1coc(-c2cnc(Cl)cc2NC(C)C)n1.O=C=O
InChIInChI=1S/C13H16ClN3O.CO2/c1-4-9-7-18-13(17-9)10-6-15-12(14)5-11(10)16-8(2)3;2-1-3/h5-8H,4H2,1-3H3,(H,15,16);
InChIKeyJEEKUHSPBFPJBF-UHFFFAOYSA-N
XLogP3.19
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2-chloro-5-(4-ethyl-1,3-oxazol-2-yl)-N-propan-2-ylpyridin-4-amine?
The IUPAC name of carbon dioxide;2-chloro-5-(4-ethyl-1,3-oxazol-2-yl)-N-propan-2-ylpyridin-4-amine (CID 158890623) is carbon dioxide;2-chloro-5-(4-ethyl-1,3-oxazol-2-yl)-N-propan-2-ylpyridin-4-amine.
What is the SMILES notation for carbon dioxide;2-chloro-5-(4-ethyl-1,3-oxazol-2-yl)-N-propan-2-ylpyridin-4-amine?
The canonical SMILES for carbon dioxide;2-chloro-5-(4-ethyl-1,3-oxazol-2-yl)-N-propan-2-ylpyridin-4-amine is CCc1coc(-c2cnc(Cl)cc2NC(C)C)n1.O=C=O.
What is the InChIKey of carbon dioxide;2-chloro-5-(4-ethyl-1,3-oxazol-2-yl)-N-propan-2-ylpyridin-4-amine?
The InChIKey is JEEKUHSPBFPJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O.CO2/c1-4-9-7-18-13(17-9)10-6-15-12(14)5-11(10)16-8(2)3;2-1-3/h5-8H,4H2,1-3H3,(H,15,16);.
What are the key properties of carbon dioxide;2-chloro-5-(4-ethyl-1,3-oxazol-2-yl)-N-propan-2-ylpyridin-4-amine?
carbon dioxide;2-chloro-5-(4-ethyl-1,3-oxazol-2-yl)-N-propan-2-ylpyridin-4-amine has a molecular weight of 309.75 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;2-chloro-5-(4-ethyl-1,3-oxazol-2-yl)-N-propan-2-ylpyridin-4-amine is sourced from PubChem (CID 158890623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).