1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one

C21H19FN4O3 — CID 58247759

IUPAC1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
SMILESO=C(CCc1ncco1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C21H19FN4O3/c22-17-3-1-15(2-4-17)14-25-10-11-26(21(25)28)19-13-16(7-8-23-19)18(27)5-6-20-24-9-12-29-20/h1-4,7-9,12-13H,5-6,10-11,14H2
InChIKeyITAMFKIZOVXCOL-UHFFFAOYSA-N
MW394.41 g/mol
LogP3.47
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one

1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one (PubChem CID 58247759) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
PubChem CID58247759
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
SMILESO=C(CCc1ncco1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C21H19FN4O3/c22-17-3-1-15(2-4-17)14-25-10-11-26(21(25)28)19-13-16(7-8-23-19)18(27)5-6-20-24-9-12-29-20/h1-4,7-9,12-13H,5-6,10-11,14H2
InChIKeyITAMFKIZOVXCOL-UHFFFAOYSA-N
XLogP3.47
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide
CID 18136880
6-(5-Phenyl-1,3-oxazol-2-yl)-1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one
CID 122229568
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-2-pyridinyl)propanamide
CID 17453135
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-2-pyridinyl)propanamide
CID 17458141
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide
CID 29466298
5-(4-fluorophenyl)-N-((2-morpholinopyridin-4-yl)methyl)oxazole-2-carboxamide
CID 76145354
2-(3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl)-N-(oxazol-4-ylmethyl)isonicotinamide
CID 44555302
2-(3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl)-N-(oxazol-2-ylmethyl)isonicotinamide
CID 44555306
1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
CID 58110516
1-[(4-Fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
CID 58247796
1-[(4-Fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
CID 58247878
1-[(4-Fluorophenyl)methyl]-3-[4-[3-(1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
CID 58247905

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one (CID 58247759) is 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one is O=C(CCc1ncco1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
The InChIKey is ITAMFKIZOVXCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c22-17-3-1-15(2-4-17)14-25-10-11-26(21(25)28)19-13-16(7-8-23-19)18(27)5-6-20-24-9-12-29-20/h1-4,7-9,12-13H,5-6,10-11,14H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one has a molecular weight of 394.41 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 58247759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).