(4R)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-oxoimidazolidine-4-carboxamide

C14H14FN5O3 — CID 97089592

IUPAC(4R)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-oxoimidazolidine-4-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CNC(=O)N1)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C14H14FN5O3/c1-7(17-12(21)10-6-16-14(22)18-10)13-19-11(20-23-13)8-2-4-9(15)5-3-8/h2-5,7,10H,6H2,1H3,(H,17,21)(H2,16,18,22)/t7-,10-/m1/s1
InChIKeyUAMFINACYAIVGI-GMSGAONNSA-N
MW319.30 g/mol
LogP0.73
Rot. Bonds4

About (4R)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-oxoimidazolidine-4-carboxamide

(4R)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 97089592) has the molecular formula C14H14FN5O3 and a molecular weight of 319.30 g/mol. Its IUPAC name is (4R)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID97089592
Molecular FormulaC14H14FN5O3
Molecular Weight319.30 g/mol
Exact Mass319.11
IUPAC Name(4R)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-oxoimidazolidine-4-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CNC(=O)N1)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C14H14FN5O3/c1-7(17-12(21)10-6-16-14(22)18-10)13-19-11(20-23-13)8-2-4-9(15)5-3-8/h2-5,7,10H,6H2,1H3,(H,17,21)(H2,16,18,22)/t7-,10-/m1/s1
InChIKeyUAMFINACYAIVGI-GMSGAONNSA-N
XLogP0.73
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
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Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-oxoimidazolidine-4-carboxamide (CID 97089592) is (4R)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-oxoimidazolidine-4-carboxamide is C[C@@H](NC(=O)[C@H]1CNC(=O)N1)c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of (4R)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is UAMFINACYAIVGI-GMSGAONNSA-N. The full InChI is InChI=1S/C14H14FN5O3/c1-7(17-12(21)10-6-16-14(22)18-10)13-19-11(20-23-13)8-2-4-9(15)5-3-8/h2-5,7,10H,6H2,1H3,(H,17,21)(H2,16,18,22)/t7-,10-/m1/s1.
What are the key properties of (4R)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-oxoimidazolidine-4-carboxamide?
(4R)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 319.30 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 97089592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).