4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxymethyl]pyridine-2-carboxamide

C22H20N4O3 — CID 91196797

IUPAC4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxymethyl]pyridine-2-carboxamide
SMILESCCc1ccccc1Nc1nc2cc(OCc3ccnc(C(N)=O)c3)ccc2o1
InChIInChI=1S/C22H20N4O3/c1-2-15-5-3-4-6-17(15)25-22-26-18-12-16(7-8-20(18)29-22)28-13-14-9-10-24-19(11-14)21(23)27/h3-12H,2,13H2,1H3,(H2,23,27)(H,25,26)
InChIKeyVTTGESYUYLSTAV-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.21
Rot. Bonds7

About 4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxymethyl]pyridine-2-carboxamide

4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxymethyl]pyridine-2-carboxamide (PubChem CID 91196797) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxymethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxymethyl]pyridine-2-carboxamide
PubChem CID91196797
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxymethyl]pyridine-2-carboxamide
SMILESCCc1ccccc1Nc1nc2cc(OCc3ccnc(C(N)=O)c3)ccc2o1
InChIInChI=1S/C22H20N4O3/c1-2-15-5-3-4-6-17(15)25-22-26-18-12-16(7-8-20(18)29-22)28-13-14-9-10-24-19(11-14)21(23)27/h3-12H,2,13H2,1H3,(H2,23,27)(H,25,26)
InChIKeyVTTGESYUYLSTAV-UHFFFAOYSA-N
XLogP4.21
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxymethyl]pyridine-2-carboxamide?
The IUPAC name of 4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxymethyl]pyridine-2-carboxamide (CID 91196797) is 4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxymethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxymethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxymethyl]pyridine-2-carboxamide is CCc1ccccc1Nc1nc2cc(OCc3ccnc(C(N)=O)c3)ccc2o1.
What is the InChIKey of 4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxymethyl]pyridine-2-carboxamide?
The InChIKey is VTTGESYUYLSTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-2-15-5-3-4-6-17(15)25-22-26-18-12-16(7-8-20(18)29-22)28-13-14-9-10-24-19(11-14)21(23)27/h3-12H,2,13H2,1H3,(H2,23,27)(H,25,26).
What are the key properties of 4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxymethyl]pyridine-2-carboxamide?
4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxymethyl]pyridine-2-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxymethyl]pyridine-2-carboxamide is sourced from PubChem (CID 91196797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).