N-[1-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide

C16H18FN3O3 — CID 133149986

IUPACN-[1-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide
SMILESCC(NC(=O)c1cc(N2CCOCC2)on1)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O3/c1-11(12-2-4-13(17)5-3-12)18-16(21)14-10-15(23-19-14)20-6-8-22-9-7-20/h2-5,10-11H,6-9H2,1H3,(H,18,21)
InChIKeyMBVMXOXUYOPPBL-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.14
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide

N-[1-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide (PubChem CID 133149986) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide
PubChem CID133149986
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide
SMILESCC(NC(=O)c1cc(N2CCOCC2)on1)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O3/c1-11(12-2-4-13(17)5-3-12)18-16(21)14-10-15(23-19-14)20-6-8-22-9-7-20/h2-5,10-11H,6-9H2,1H3,(H,18,21)
InChIKeyMBVMXOXUYOPPBL-UHFFFAOYSA-N
XLogP2.14
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(morpholin-4-ylmethyl)-N-[(1R)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 92725034
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-morpholin-4-ylacetamide
CID 2534176
2-morpholin-4-yl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 137162871
6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide
CID 124749178
4-methoxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyridine-2-carboxamide
CID 166208501
2-N,6-N-bis[1-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 46430353
3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 48663587
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2713189
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 28636051
N-[1-(4-morpholin-4-ylphenyl)ethyl]imidazo[1,2-a]pyrazine-2-carboxamide
CID 139507657
3,6-dimethyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 92626635
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115295213

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide (CID 133149986) is N-[1-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide is CC(NC(=O)c1cc(N2CCOCC2)on1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide?
The InChIKey is MBVMXOXUYOPPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-11(12-2-4-13(17)5-3-12)18-16(21)14-10-15(23-19-14)20-6-8-22-9-7-20/h2-5,10-11H,6-9H2,1H3,(H,18,21).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 133149986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).