5-(4-fluorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-oxazole-4-carboxamide

C18H20FN3O3 — CID 51494366

IUPAC5-(4-fluorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-oxazole-4-carboxamide
SMILESC[C@H](NC(=O)c1ncoc1-c1ccc(F)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C18H20FN3O3/c1-12(18(24)22-9-3-2-4-10-22)21-17(23)15-16(25-11-20-15)13-5-7-14(19)8-6-13/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,23)/t12-/m0/s1
InChIKeyMWNMJUUJPBOLNP-LBPRGKRZSA-N
MW345.37 g/mol
LogP2.61
Rot. Bonds4

About 5-(4-fluorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-oxazole-4-carboxamide

5-(4-fluorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-oxazole-4-carboxamide (PubChem CID 51494366) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-oxazole-4-carboxamide
PubChem CID51494366
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name5-(4-fluorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-oxazole-4-carboxamide
SMILESC[C@H](NC(=O)c1ncoc1-c1ccc(F)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C18H20FN3O3/c1-12(18(24)22-9-3-2-4-10-22)21-17(23)15-16(25-11-20-15)13-5-7-14(19)8-6-13/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,23)/t12-/m0/s1
InChIKeyMWNMJUUJPBOLNP-LBPRGKRZSA-N
XLogP2.61
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-oxazole-4-carboxamide
CID 51494365
[5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 110244642
5-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-1,3-oxazole-4-carboxamide
CID 51492681
N-cyclopropyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 73440583
4-fluoro-2-hydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 103874932
2-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 61041045
1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one
CID 60676626
5-(4-fluorophenyl)-N-pyridin-4-yl-1,3-oxazole-4-carboxamide
CID 139006704
N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate
CID 19768465
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
CID 110347461
4-(4-fluorophenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 53370215
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 52900769

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-oxazole-4-carboxamide (CID 51494366) is 5-(4-fluorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-oxazole-4-carboxamide is C[C@H](NC(=O)c1ncoc1-c1ccc(F)cc1)C(=O)N1CCCCC1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is MWNMJUUJPBOLNP-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-12(18(24)22-9-3-2-4-10-22)21-17(23)15-16(25-11-20-15)13-5-7-14(19)8-6-13/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,23)/t12-/m0/s1.
What are the key properties of 5-(4-fluorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-oxazole-4-carboxamide?
5-(4-fluorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 51494366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).