N-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C17H23N3O4 — CID 3163790

IUPACN-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)NCCCN1CCOCC1
InChIInChI=1S/C17H23N3O4/c21-16(18-7-3-8-19-10-12-23-13-11-19)6-9-20-14-4-1-2-5-15(14)24-17(20)22/h1-2,4-5H,3,6-13H2,(H,18,21)
InChIKeyCGBGEKHKMRZRRS-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.82
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 3163790) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID3163790
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)NCCCN1CCOCC1
InChIInChI=1S/C17H23N3O4/c21-16(18-7-3-8-19-10-12-23-13-11-19)6-9-20-14-4-1-2-5-15(14)24-17(20)22/h1-2,4-5H,3,6-13H2,(H,18,21)
InChIKeyCGBGEKHKMRZRRS-UHFFFAOYSA-N
XLogP0.82
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 3163790) is N-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is O=C(CCn1c(=O)oc2ccccc21)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is CGBGEKHKMRZRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c21-16(18-7-3-8-19-10-12-23-13-11-19)6-9-20-14-4-1-2-5-15(14)24-17(20)22/h1-2,4-5H,3,6-13H2,(H,18,21).
What are the key properties of N-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 333.39 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 3163790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).