1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]imidazolidin-2-one

C15H16FN5O2 — CID 120863106

IUPAC1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]imidazolidin-2-one
SMILESNC1(c2noc(-c3cc(N4CCNC4=O)ccc3F)n2)CCC1
InChIInChI=1S/C15H16FN5O2/c16-11-3-2-9(21-7-6-18-14(21)22)8-10(11)12-19-13(20-23-12)15(17)4-1-5-15/h2-3,8H,1,4-7,17H2,(H,18,22)
InChIKeyNIHIZISSUQSNFK-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.74
Rot. Bonds3

About 1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]imidazolidin-2-one

1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]imidazolidin-2-one (PubChem CID 120863106) has the molecular formula C15H16FN5O2 and a molecular weight of 317.32 g/mol. Its IUPAC name is 1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]imidazolidin-2-one
PubChem CID120863106
Molecular FormulaC15H16FN5O2
Molecular Weight317.32 g/mol
Exact Mass317.13
IUPAC Name1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]imidazolidin-2-one
SMILESNC1(c2noc(-c3cc(N4CCNC4=O)ccc3F)n2)CCC1
InChIInChI=1S/C15H16FN5O2/c16-11-3-2-9(21-7-6-18-14(21)22)8-10(11)12-19-13(20-23-12)15(17)4-1-5-15/h2-3,8H,1,4-7,17H2,(H,18,22)
InChIKeyNIHIZISSUQSNFK-UHFFFAOYSA-N
XLogP1.74
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride
CID 120853662
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860206
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352515
1-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-chlorophenyl]imidazolidin-2-one
CID 120861574
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354112
1-[5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863453
1-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenyl]imidazolidin-2-one;hydrochloride
CID 120852681
1-[5-[4-(4-fluorophenyl)-1H-pyrrol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 137096074
1-[5-(2-fluoro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860029
1-[5-(2,4-dichloro-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862076
1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864382
1-[5-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862714

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]imidazolidin-2-one (CID 120863106) is 1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]imidazolidin-2-one is NC1(c2noc(-c3cc(N4CCNC4=O)ccc3F)n2)CCC1.
What is the InChIKey of 1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]imidazolidin-2-one?
The InChIKey is NIHIZISSUQSNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2/c16-11-3-2-9(21-7-6-18-14(21)22)8-10(11)12-19-13(20-23-12)15(17)4-1-5-15/h2-3,8H,1,4-7,17H2,(H,18,22).
What are the key properties of 1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]imidazolidin-2-one?
1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]imidazolidin-2-one has a molecular weight of 317.32 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]imidazolidin-2-one is sourced from PubChem (CID 120863106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).