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

C17H20FN3O3 — CID 36873697

IUPAC(2S)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)N2CCO[C@@H](c3ccc(F)cc3)C2)no1
InChIInChI=1S/C17H20FN3O3/c1-11-9-16(20-24-11)19-17(22)12(2)21-7-8-23-15(10-21)13-3-5-14(18)6-4-13/h3-6,9,12,15H,7-8,10H2,1-2H3,(H,19,20,22)/t12-,15+/m0/s1
InChIKeyZAZPMABCYZUVIP-SWLSCSKDSA-N
MW333.36 g/mol
LogP2.52
Rot. Bonds4

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

(2S)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 36873697) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID36873697
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name(2S)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)N2CCO[C@@H](c3ccc(F)cc3)C2)no1
InChIInChI=1S/C17H20FN3O3/c1-11-9-16(20-24-11)19-17(22)12(2)21-7-8-23-15(10-21)13-3-5-14(18)6-4-13/h3-6,9,12,15H,7-8,10H2,1-2H3,(H,19,20,22)/t12-,15+/m0/s1
InChIKeyZAZPMABCYZUVIP-SWLSCSKDSA-N
XLogP2.52
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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 (2S)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2S)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 36873697) is (2S)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)[C@H](C)N2CCO[C@@H](c3ccc(F)cc3)C2)no1.
What is the InChIKey of (2S)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is ZAZPMABCYZUVIP-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-11-9-16(20-24-11)19-17(22)12(2)21-7-8-23-15(10-21)13-3-5-14(18)6-4-13/h3-6,9,12,15H,7-8,10H2,1-2H3,(H,19,20,22)/t12-,15+/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2S)-2-[(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, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 36873697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).