ethyl 2-(1,3-benzoxazol-2-ylamino)pyridine-4-carboxylate

C15H13N3O3 — CID 108773587

IUPACethyl 2-(1,3-benzoxazol-2-ylamino)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Nc2nc3ccccc3o2)c1
InChIInChI=1S/C15H13N3O3/c1-2-20-14(19)10-7-8-16-13(9-10)18-15-17-11-5-3-4-6-12(11)21-15/h3-9H,2H2,1H3,(H,16,17,18)
InChIKeySXCZEIALGQOBAO-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.14
Rot. Bonds4

About ethyl 2-(1,3-benzoxazol-2-ylamino)pyridine-4-carboxylate

ethyl 2-(1,3-benzoxazol-2-ylamino)pyridine-4-carboxylate (PubChem CID 108773587) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is ethyl 2-(1,3-benzoxazol-2-ylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1,3-benzoxazol-2-ylamino)pyridine-4-carboxylate
PubChem CID108773587
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Nameethyl 2-(1,3-benzoxazol-2-ylamino)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Nc2nc3ccccc3o2)c1
InChIInChI=1S/C15H13N3O3/c1-2-20-14(19)10-7-8-16-13(9-10)18-15-17-11-5-3-4-6-12(11)21-15/h3-9H,2H2,1H3,(H,16,17,18)
InChIKeySXCZEIALGQOBAO-UHFFFAOYSA-N
XLogP3.14
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-benzoxazol-2-ylamino)pyridine-4-carboxylate?
The IUPAC name of ethyl 2-(1,3-benzoxazol-2-ylamino)pyridine-4-carboxylate (CID 108773587) is ethyl 2-(1,3-benzoxazol-2-ylamino)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-(1,3-benzoxazol-2-ylamino)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-(1,3-benzoxazol-2-ylamino)pyridine-4-carboxylate is CCOC(=O)c1ccnc(Nc2nc3ccccc3o2)c1.
What is the InChIKey of ethyl 2-(1,3-benzoxazol-2-ylamino)pyridine-4-carboxylate?
The InChIKey is SXCZEIALGQOBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-2-20-14(19)10-7-8-16-13(9-10)18-15-17-11-5-3-4-6-12(11)21-15/h3-9H,2H2,1H3,(H,16,17,18).
What are the key properties of ethyl 2-(1,3-benzoxazol-2-ylamino)pyridine-4-carboxylate?
ethyl 2-(1,3-benzoxazol-2-ylamino)pyridine-4-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-benzoxazol-2-ylamino)pyridine-4-carboxylate is sourced from PubChem (CID 108773587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).