3-(4-formyl-5-hydroxy-1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide

C17H21N3O5 — CID 87407288

IUPAC3-(4-formyl-5-hydroxy-1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=Cc1c(O)ccc2oc(CCC(=O)NCCN3CCOCC3)nc12
InChIInChI=1S/C17H21N3O5/c21-11-12-13(22)1-2-14-17(12)19-16(25-14)4-3-15(23)18-5-6-20-7-9-24-10-8-20/h1-2,11,22H,3-10H2,(H,18,23)
InChIKeyFLVAYULUAOITDC-UHFFFAOYSA-N
MW347.37 g/mol
LogP0.73
Rot. Bonds7

About 3-(4-formyl-5-hydroxy-1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide

3-(4-formyl-5-hydroxy-1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 87407288) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-(4-formyl-5-hydroxy-1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-formyl-5-hydroxy-1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID87407288
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Name3-(4-formyl-5-hydroxy-1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=Cc1c(O)ccc2oc(CCC(=O)NCCN3CCOCC3)nc12
InChIInChI=1S/C17H21N3O5/c21-11-12-13(22)1-2-14-17(12)19-16(25-14)4-3-15(23)18-5-6-20-7-9-24-10-8-20/h1-2,11,22H,3-10H2,(H,18,23)
InChIKeyFLVAYULUAOITDC-UHFFFAOYSA-N
XLogP0.73
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-formyl-5-hydroxy-1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-(4-formyl-5-hydroxy-1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide (CID 87407288) is 3-(4-formyl-5-hydroxy-1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(4-formyl-5-hydroxy-1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-(4-formyl-5-hydroxy-1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide is O=Cc1c(O)ccc2oc(CCC(=O)NCCN3CCOCC3)nc12.
What is the InChIKey of 3-(4-formyl-5-hydroxy-1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is FLVAYULUAOITDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c21-11-12-13(22)1-2-14-17(12)19-16(25-14)4-3-15(23)18-5-6-20-7-9-24-10-8-20/h1-2,11,22H,3-10H2,(H,18,23).
What are the key properties of 3-(4-formyl-5-hydroxy-1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide?
3-(4-formyl-5-hydroxy-1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 347.37 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formyl-5-hydroxy-1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 87407288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).