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

C21H19FN4O3 — CID 58247796

IUPAC1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
SMILESO=C(CCc1cocn1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C21H19FN4O3/c22-17-3-1-15(2-4-17)12-25-9-10-26(21(25)28)20-11-16(7-8-23-20)19(27)6-5-18-13-29-14-24-18/h1-4,7-8,11,13-14H,5-6,9-10,12H2
InChIKeyDUWHZSKHLNIGMC-UHFFFAOYSA-N
MW394.41 g/mol
LogP3.47
Rot. Bonds7

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

1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one (PubChem CID 58247796) 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-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
PubChem CID58247796
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
SMILESO=C(CCc1cocn1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C21H19FN4O3/c22-17-3-1-15(2-4-17)12-25-9-10-26(21(25)28)20-11-16(7-8-23-20)19(27)6-5-18-13-29-14-24-18/h1-4,7-8,11,13-14H,5-6,9-10,12H2
InChIKeyDUWHZSKHLNIGMC-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

{4-[4-(4-Fluoro-phenyl)-oxazol-5-yl]-pyridin-2-yl}-urea
CID 69085448
4-(4-fluorophenyl)-N,N-dimethyl-5-pyridin-4-yl-1,3-oxazol-2-amine
CID 21704182
2-(3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl)-N-(oxazol-4-ylmethyl)isonicotinamide
CID 44555302
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-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
CID 58247759
Cyclopentyl 4-[5-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate
CID 58428462
2-[6-[4-[2-(2-Fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428516
2-[6-[4-[2-(2-Fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428585
1-[2-(Diethylamino)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone
CID 58428586
Ethyl 4-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate
CID 58428629
1-(2-Fluorophenyl)-3-[1-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]pyrrolidin-3-yl]propan-2-one
CID 58428630
1-[2-[Cyclopentyl(methyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone
CID 58428640

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one (CID 58247796) is 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one is O=C(CCc1cocn1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
The InChIKey is DUWHZSKHLNIGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c22-17-3-1-15(2-4-17)12-25-9-10-26(21(25)28)20-11-16(7-8-23-20)19(27)6-5-18-13-29-14-24-18/h1-4,7-8,11,13-14H,5-6,9-10,12H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-4-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-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 58247796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).