(2R)-1'-(5-phenyl-1,2-oxazole-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one

C22H18N2O4 — CID 97415034

IUPAC(2R)-1'-(5-phenyl-1,2-oxazole-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1C[C@@]2(CCN(C(=O)c3cc(-c4ccccc4)on3)C2)Oc2ccccc21
InChIInChI=1S/C22H18N2O4/c25-18-13-22(27-19-9-5-4-8-16(18)19)10-11-24(14-22)21(26)17-12-20(28-23-17)15-6-2-1-3-7-15/h1-9,12H,10-11,13-14H2/t22-/m1/s1
InChIKeyJYSJMVQJMHVYNJ-JOCHJYFZSA-N
MW374.40 g/mol
LogP3.59
Rot. Bonds2

About (2R)-1'-(5-phenyl-1,2-oxazole-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one

(2R)-1'-(5-phenyl-1,2-oxazole-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 97415034) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is (2R)-1'-(5-phenyl-1,2-oxazole-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name(2R)-1'-(5-phenyl-1,2-oxazole-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID97415034
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name(2R)-1'-(5-phenyl-1,2-oxazole-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1C[C@@]2(CCN(C(=O)c3cc(-c4ccccc4)on3)C2)Oc2ccccc21
InChIInChI=1S/C22H18N2O4/c25-18-13-22(27-19-9-5-4-8-16(18)19)10-11-24(14-22)21(26)17-12-20(28-23-17)15-6-2-1-3-7-15/h1-9,12H,10-11,13-14H2/t22-/m1/s1
InChIKeyJYSJMVQJMHVYNJ-JOCHJYFZSA-N
XLogP3.59
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(2,1,3-benzothiadiazole-5-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 71805919
1'-(4-thiophen-3-ylbenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586111
1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585858
1'-[4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586212
1'-[3-(3-methoxyphenyl)-1-methylpyrazole-5-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586305
1'-[4-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585914
4-hydroxy-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylic acid
CID 119251838
1'-(1-methyl-3-propylpyrazole-5-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 77087417
2-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoic acid
CID 7260656
(2S)-1'-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 97118337
N-benzyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586068
1'-[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586302

Frequently Asked Questions

What is the IUPAC name of (2R)-1'-(5-phenyl-1,2-oxazole-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of (2R)-1'-(5-phenyl-1,2-oxazole-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 97415034) is (2R)-1'-(5-phenyl-1,2-oxazole-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for (2R)-1'-(5-phenyl-1,2-oxazole-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for (2R)-1'-(5-phenyl-1,2-oxazole-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one is O=C1C[C@@]2(CCN(C(=O)c3cc(-c4ccccc4)on3)C2)Oc2ccccc21.
What is the InChIKey of (2R)-1'-(5-phenyl-1,2-oxazole-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is JYSJMVQJMHVYNJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H18N2O4/c25-18-13-22(27-19-9-5-4-8-16(18)19)10-11-24(14-22)21(26)17-12-20(28-23-17)15-6-2-1-3-7-15/h1-9,12H,10-11,13-14H2/t22-/m1/s1.
What are the key properties of (2R)-1'-(5-phenyl-1,2-oxazole-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
(2R)-1'-(5-phenyl-1,2-oxazole-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 374.40 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1'-(5-phenyl-1,2-oxazole-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 97415034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).