(2R)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one

C20H22N2O4 — CID 99953645

IUPAC(2R)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCc1noc(C)c1CCC(=O)N1CC[C@@]2(CC(=O)c3ccccc3O2)C1
InChIInChI=1S/C20H22N2O4/c1-13-15(14(2)26-21-13)7-8-19(24)22-10-9-20(12-22)11-17(23)16-5-3-4-6-18(16)25-20/h3-6H,7-12H2,1-2H3/t20-/m1/s1
InChIKeyWYUWAZXLYGGXLJ-HXUWFJFHSA-N
MW354.41 g/mol
LogP2.86
Rot. Bonds3

About (2R)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one

(2R)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 99953645) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2R)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name(2R)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID99953645
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(2R)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCc1noc(C)c1CCC(=O)N1CC[C@@]2(CC(=O)c3ccccc3O2)C1
InChIInChI=1S/C20H22N2O4/c1-13-15(14(2)26-21-13)7-8-19(24)22-10-9-20(12-22)11-17(23)16-5-3-4-6-18(16)25-20/h3-6H,7-12H2,1-2H3/t20-/m1/s1
InChIKeyWYUWAZXLYGGXLJ-HXUWFJFHSA-N
XLogP2.86
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-[3-(2,4,6-trimethoxyphenyl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586182
1'-[3-(3,4-dimethylphenyl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586185
1'-[3-(3-methylthiophen-2-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586178
1'-[3-[4-(trifluoromethyl)phenyl]propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586180
1'-(3-methylbutanoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585824
1'-(2-cyclopentylacetyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585833
1'-[2-(4-methoxyphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585903
1'-[3-(4-oxoquinazolin-3-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586258
1'-[2-(2-oxopyrimidin-1-yl)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 74244151
2-fluoro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide
CID 90586128
(2R)-1'-(5-phenyl-1,2-oxazole-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 97415034
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
CID 74249946

Frequently Asked Questions

What is the IUPAC name of (2R)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of (2R)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 99953645) is (2R)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for (2R)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for (2R)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one is Cc1noc(C)c1CCC(=O)N1CC[C@@]2(CC(=O)c3ccccc3O2)C1.
What is the InChIKey of (2R)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is WYUWAZXLYGGXLJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13-15(14(2)26-21-13)7-8-19(24)22-10-9-20(12-22)11-17(23)16-5-3-4-6-18(16)25-20/h3-6H,7-12H2,1-2H3/t20-/m1/s1.
What are the key properties of (2R)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
(2R)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 354.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 99953645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).