3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C17H20FN3O3 — CID 34219322

IUPAC3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCN2CCO[C@@H](c3ccc(F)cc3)C2)no1
InChIInChI=1S/C17H20FN3O3/c1-12-10-16(20-24-12)19-17(22)6-7-21-8-9-23-15(11-21)13-2-4-14(18)5-3-13/h2-5,10,15H,6-9,11H2,1H3,(H,19,20,22)/t15-/m1/s1
InChIKeyCOLQLVVMWVGIBV-OAHLLOKOSA-N
MW333.36 g/mol
LogP2.52
Rot. Bonds5

About 3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 34219322) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID34219322
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCN2CCO[C@@H](c3ccc(F)cc3)C2)no1
InChIInChI=1S/C17H20FN3O3/c1-12-10-16(20-24-12)19-17(22)6-7-21-8-9-23-15(11-21)13-2-4-14(18)5-3-13/h2-5,10,15H,6-9,11H2,1H3,(H,19,20,22)/t15-/m1/s1
InChIKeyCOLQLVVMWVGIBV-OAHLLOKOSA-N
XLogP2.52
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 34219322) is 3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCN2CCO[C@@H](c3ccc(F)cc3)C2)no1.
What is the InChIKey of 3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is COLQLVVMWVGIBV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-12-10-16(20-24-12)19-17(22)6-7-21-8-9-23-15(11-21)13-2-4-14(18)5-3-13/h2-5,10,15H,6-9,11H2,1H3,(H,19,20,22)/t15-/m1/s1.
What are the key properties of 3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 333.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 34219322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).