(5-chloro-3-pyridinyl) 1,3-benzoxazole-7-carboxylate

C13H7ClN2O3 — CID 156907349

IUPAC(5-chloro-3-pyridinyl) 1,3-benzoxazole-7-carboxylate
SMILESO=C(Oc1cncc(Cl)c1)c1cccc2ncoc12
InChIInChI=1S/C13H7ClN2O3/c14-8-4-9(6-15-5-8)19-13(17)10-2-1-3-11-12(10)18-7-16-11/h1-7H
InChIKeyFCONYNWIAJBMHU-UHFFFAOYSA-N
MW274.66 g/mol
LogP3.10
Rot. Bonds2

About (5-chloro-3-pyridinyl) 1,3-benzoxazole-7-carboxylate

(5-chloro-3-pyridinyl) 1,3-benzoxazole-7-carboxylate (PubChem CID 156907349) has the molecular formula C13H7ClN2O3 and a molecular weight of 274.66 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl) 1,3-benzoxazole-7-carboxylate.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl) 1,3-benzoxazole-7-carboxylate
PubChem CID156907349
Molecular FormulaC13H7ClN2O3
Molecular Weight274.66 g/mol
Exact Mass274.01
IUPAC Name(5-chloro-3-pyridinyl) 1,3-benzoxazole-7-carboxylate
SMILESO=C(Oc1cncc(Cl)c1)c1cccc2ncoc12
InChIInChI=1S/C13H7ClN2O3/c14-8-4-9(6-15-5-8)19-13(17)10-2-1-3-11-12(10)18-7-16-11/h1-7H
InChIKeyFCONYNWIAJBMHU-UHFFFAOYSA-N
XLogP3.10
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.66
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-pyridinyl) 1,3-benzoxazole-7-carboxylate?
The IUPAC name of (5-chloro-3-pyridinyl) 1,3-benzoxazole-7-carboxylate (CID 156907349) is (5-chloro-3-pyridinyl) 1,3-benzoxazole-7-carboxylate.
What is the SMILES notation for (5-chloro-3-pyridinyl) 1,3-benzoxazole-7-carboxylate?
The canonical SMILES for (5-chloro-3-pyridinyl) 1,3-benzoxazole-7-carboxylate is O=C(Oc1cncc(Cl)c1)c1cccc2ncoc12.
What is the InChIKey of (5-chloro-3-pyridinyl) 1,3-benzoxazole-7-carboxylate?
The InChIKey is FCONYNWIAJBMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN2O3/c14-8-4-9(6-15-5-8)19-13(17)10-2-1-3-11-12(10)18-7-16-11/h1-7H.
What are the key properties of (5-chloro-3-pyridinyl) 1,3-benzoxazole-7-carboxylate?
(5-chloro-3-pyridinyl) 1,3-benzoxazole-7-carboxylate has a molecular weight of 274.66 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-pyridinyl) 1,3-benzoxazole-7-carboxylate is sourced from PubChem (CID 156907349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).