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

C16H22N3O4+ — CID 3622363

IUPACN-(2-morpholin-4-ium-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)NCC[NH+]1CCOCC1
InChIInChI=1S/C16H21N3O4/c20-15(17-6-8-18-9-11-22-12-10-18)5-7-19-13-3-1-2-4-14(13)23-16(19)21/h1-4H,5-12H2,(H,17,20)/p+1
InChIKeyHEJYDCLMVPYVQC-UHFFFAOYSA-O
MW320.37 g/mol
LogP-0.98
Rot. Bonds6

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

N-(2-morpholin-4-ium-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 3622363) has the molecular formula C16H22N3O4+ and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(2-morpholin-4-ium-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ium-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID3622363
Molecular FormulaC16H22N3O4+
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC NameN-(2-morpholin-4-ium-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)NCC[NH+]1CCOCC1
InChIInChI=1S/C16H21N3O4/c20-15(17-6-8-18-9-11-22-12-10-18)5-7-19-13-3-1-2-4-14(13)23-16(19)21/h1-4H,5-12H2,(H,17,20)/p+1
InChIKeyHEJYDCLMVPYVQC-UHFFFAOYSA-O
XLogP-0.98
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 9481616
N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 82344583
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 53499763
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 9481617
N-(4-morpholin-4-ylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 47041811
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide
CID 27844689
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3830051
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 111429592
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 27990436
N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 120828743
N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197823
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ium-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(2-morpholin-4-ium-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 3622363) is N-(2-morpholin-4-ium-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(2-morpholin-4-ium-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(2-morpholin-4-ium-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is O=C(CCn1c(=O)oc2ccccc21)NCC[NH+]1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ium-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is HEJYDCLMVPYVQC-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H21N3O4/c20-15(17-6-8-18-9-11-22-12-10-18)5-7-19-13-3-1-2-4-14(13)23-16(19)21/h1-4H,5-12H2,(H,17,20)/p+1.
What are the key properties of N-(2-morpholin-4-ium-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(2-morpholin-4-ium-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 320.37 g/mol, XLogP of -0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ium-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 3622363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).