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

C18H22FN3O3 — CID 94026544

IUPAC3-(4-fluorophenyl)-5-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)N[C@H](C)CN1CCOCC1
InChIInChI=1S/C18H22FN3O3/c1-12(11-22-7-9-24-10-8-22)20-18(23)16-13(2)25-21-17(16)14-3-5-15(19)6-4-14/h3-6,12H,7-11H2,1-2H3,(H,20,23)/t12-/m1/s1
InChIKeyIQQHXXJHONVNRJ-GFCCVEGCSA-N
MW347.39 g/mol
LogP2.24
Rot. Bonds5

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

3-(4-fluorophenyl)-5-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-1,2-oxazole-4-carboxamide (PubChem CID 94026544) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-1,2-oxazole-4-carboxamide
PubChem CID94026544
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name3-(4-fluorophenyl)-5-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)N[C@H](C)CN1CCOCC1
InChIInChI=1S/C18H22FN3O3/c1-12(11-22-7-9-24-10-8-22)20-18(23)16-13(2)25-21-17(16)14-3-5-15(19)6-4-14/h3-6,12H,7-11H2,1-2H3,(H,20,23)/t12-/m1/s1
InChIKeyIQQHXXJHONVNRJ-GFCCVEGCSA-N
XLogP2.24
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-5-methyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide
CID 35261820
3-(4-fluorophenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide
CID 35261814
3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 50805738
3-(4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)imidazole-4-carboxamide
CID 51080935
3-amino-2,6-difluoro-N-(1-morpholin-4-ylpropan-2-yl)benzamide
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CID 61499910
3-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,2-oxazole-4-carboxamide
CID 55605925
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 55715703
N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805807
5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 2915253
6-bromo-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-1,2-oxazole-4-carboxamide (CID 94026544) is 3-(4-fluorophenyl)-5-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@H](C)CN1CCOCC1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is IQQHXXJHONVNRJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-12(11-22-7-9-24-10-8-22)20-18(23)16-13(2)25-21-17(16)14-3-5-15(19)6-4-14/h3-6,12H,7-11H2,1-2H3,(H,20,23)/t12-/m1/s1.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-1,2-oxazole-4-carboxamide?
3-(4-fluorophenyl)-5-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 94026544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).