N-[(4-fluorophenyl)methyl]-3-oxo-1-phenyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide

C20H20FN3O3 — CID 23122086

IUPACN-[(4-fluorophenyl)methyl]-3-oxo-1-phenyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCN2C(=O)OC(c3ccccc3)C2C1
InChIInChI=1S/C20H20FN3O3/c21-16-8-6-14(7-9-16)12-22-19(25)23-10-11-24-17(13-23)18(27-20(24)26)15-4-2-1-3-5-15/h1-9,17-18H,10-13H2,(H,22,25)
InChIKeyZBBISFGTFHHUJK-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.91
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-3-oxo-1-phenyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide

N-[(4-fluorophenyl)methyl]-3-oxo-1-phenyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide (PubChem CID 23122086) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-oxo-1-phenyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-oxo-1-phenyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
PubChem CID23122086
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-[(4-fluorophenyl)methyl]-3-oxo-1-phenyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCN2C(=O)OC(c3ccccc3)C2C1
InChIInChI=1S/C20H20FN3O3/c21-16-8-6-14(7-9-16)12-22-19(25)23-10-11-24-17(13-23)18(27-20(24)26)15-4-2-1-3-5-15/h1-9,17-18H,10-13H2,(H,22,25)
InChIKeyZBBISFGTFHHUJK-UHFFFAOYSA-N
XLogP2.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(8aR)-N-benzyl-2-[(4-fluorophenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 75536996
1,1-bis(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
CID 23121950
4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107645
N-[(4-fluorophenyl)methyl]-7-phenyl-1,4-thiazepane-4-carboxamide
CID 72720381
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512
4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108867667
N-benzyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 103876130
N-[(4-chlorophenyl)methyl]-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92768403
(3aR,10aS)-N-benzyl-8-fluoro-4-methyl-5-oxo-1,3,3a,10a-tetrahydropyrrolo[3,4-b][1,4]benzoxazepine-2-carboxamide
CID 125417909
N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113106624
1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425178
2-N-benzyl-1-N,4-N-bis(4-fluorophenyl)piperazine-1,2,4-tricarboxamide
CID 134085419

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-oxo-1-phenyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-oxo-1-phenyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide (CID 23122086) is N-[(4-fluorophenyl)methyl]-3-oxo-1-phenyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-oxo-1-phenyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-oxo-1-phenyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide is O=C(NCc1ccc(F)cc1)N1CCN2C(=O)OC(c3ccccc3)C2C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-oxo-1-phenyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The InChIKey is ZBBISFGTFHHUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-16-8-6-14(7-9-16)12-22-19(25)23-10-11-24-17(13-23)18(27-20(24)26)15-4-2-1-3-5-15/h1-9,17-18H,10-13H2,(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-oxo-1-phenyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
N-[(4-fluorophenyl)methyl]-3-oxo-1-phenyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-oxo-1-phenyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide is sourced from PubChem (CID 23122086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).