N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide

C16H17FN4O3 — CID 97039454

IUPACN-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC[C@H](Cc1cccc(F)c1)N1CCNC1=O)c1ccno1
InChIInChI=1S/C16H17FN4O3/c17-12-3-1-2-11(8-12)9-13(21-7-6-18-16(21)23)10-19-15(22)14-4-5-20-24-14/h1-5,8,13H,6-7,9-10H2,(H,18,23)(H,19,22)/t13-/m0/s1
InChIKeyUKLQNPSQOZEFHH-ZDUSSCGKSA-N
MW332.34 g/mol
LogP1.18
Rot. Bonds6

About N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide

N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide (PubChem CID 97039454) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide
PubChem CID97039454
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC NameN-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC[C@H](Cc1cccc(F)c1)N1CCNC1=O)c1ccno1
InChIInChI=1S/C16H17FN4O3/c17-12-3-1-2-11(8-12)9-13(21-7-6-18-16(21)23)10-19-15(22)14-4-5-20-24-14/h1-5,8,13H,6-7,9-10H2,(H,18,23)(H,19,22)/t13-/m0/s1
InChIKeyUKLQNPSQOZEFHH-ZDUSSCGKSA-N
XLogP1.18
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide (CID 97039454) is N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide is O=C(NC[C@H](Cc1cccc(F)c1)N1CCNC1=O)c1ccno1.
What is the InChIKey of N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide?
The InChIKey is UKLQNPSQOZEFHH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17FN4O3/c17-12-3-1-2-11(8-12)9-13(21-7-6-18-16(21)23)10-19-15(22)14-4-5-20-24-14/h1-5,8,13H,6-7,9-10H2,(H,18,23)(H,19,22)/t13-/m0/s1.
What are the key properties of N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide?
N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide has a molecular weight of 332.34 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97039454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).