(5R)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

C17H19FN4O3 — CID 94026664

IUPAC(5R)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC(C)(C)c1nc(CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)no1
InChIInChI=1S/C17H19FN4O3/c1-16(2,3)13-19-12(21-25-13)9-22-14(23)17(4,20-15(22)24)10-5-7-11(18)8-6-10/h5-8H,9H2,1-4H3,(H,20,24)/t17-/m1/s1
InChIKeyPXECOGBVMJDEPV-QGZVFWFLSA-N
MW346.36 g/mol
LogP2.47
Rot. Bonds3

About (5R)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

(5R)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 94026664) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is (5R)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID94026664
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name(5R)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC(C)(C)c1nc(CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)no1
InChIInChI=1S/C17H19FN4O3/c1-16(2,3)13-19-12(21-25-13)9-22-14(23)17(4,20-15(22)24)10-5-7-11(18)8-6-10/h5-8H,9H2,1-4H3,(H,20,24)/t17-/m1/s1
InChIKeyPXECOGBVMJDEPV-QGZVFWFLSA-N
XLogP2.47
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 95589595
3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione
CID 47037844
5-methyl-5-(4-methylphenyl)-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione
CID 43047103
(5S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 94026656
4-[(4S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide
CID 95383351
(5S)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 94026653
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 55578979
(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 26685769
2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2084864
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 95301085
5-(3,4-difluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18100275
5-(4-fluorophenyl)-5-methyl-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 51259391

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (CID 94026664) is (5R)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is CC(C)(C)c1nc(CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)no1.
What is the InChIKey of (5R)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is PXECOGBVMJDEPV-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-16(2,3)13-19-12(21-25-13)9-22-14(23)17(4,20-15(22)24)10-5-7-11(18)8-6-10/h5-8H,9H2,1-4H3,(H,20,24)/t17-/m1/s1.
What are the key properties of (5R)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
(5R)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 346.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 94026664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).