3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione

C19H18FN5O3 — CID 57422443

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3ccccc3F)C2=O)cn1
InChIInChI=1S/C19H18FN5O3/c1-12-16(13(2)28-22-12)10-24-9-15(7-21-24)25-18(26)11-23(19(25)27)8-14-5-3-4-6-17(14)20/h3-7,9H,8,10-11H2,1-2H3
InChIKeyDHTBKZDXNSKLRT-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.64
Rot. Bonds5

About 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 57422443) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID57422443
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3ccccc3F)C2=O)cn1
InChIInChI=1S/C19H18FN5O3/c1-12-16(13(2)28-22-12)10-24-9-15(7-21-24)25-18(26)11-23(19(25)27)8-14-5-3-4-6-17(14)20/h3-7,9H,8,10-11H2,1-2H3
InChIKeyDHTBKZDXNSKLRT-UHFFFAOYSA-N
XLogP2.64
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-(1-((3,5-Dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(3-hydroxybenzyl)-imidazolidine-2,4-dione
CID 57422431
3-(1-((3,5-Dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(3-hydroxybenzyl)-5,5-dimethylimidazolidine-2,4-dione
CID 53374958
6-[1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-[(3-hydroxyphenyl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 53373641
7-[1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-hydroxyphenyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 53374960
(5S)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(3-hydroxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 53374961
(5R)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(3-hydroxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 53375053
(5S)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(hydroxymethyl)-1-[(3-hydroxyphenyl)methyl]imidazolidine-2,4-dione
CID 53375054
3-[1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(hydroxymethyl)-1-[(3-hydroxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 53375056
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 57422266
2-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)isoindoline-1,3-dione
CID 57422411
1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)urea
CID 57422420
Methyl 3-[[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,4-dioxoimidazolidin-1-yl]methyl]benzoate
CID 57422428

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione (CID 57422443) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3ccccc3F)C2=O)cn1.
What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is DHTBKZDXNSKLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3/c1-12-16(13(2)28-22-12)10-24-9-15(7-21-24)25-18(26)11-23(19(25)27)8-14-5-3-4-6-17(14)20/h3-7,9H,8,10-11H2,1-2H3.
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 383.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 57422443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).