2-phenyl-5-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)-1,3-oxazole-4-carboxylic acid

C23H22N2O4 — CID 154800338

IUPAC2-phenyl-5-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)oc1CN1CCC2(CCc3ccccc3O2)C1
InChIInChI=1S/C23H22N2O4/c26-22(27)20-19(28-21(24-20)17-7-2-1-3-8-17)14-25-13-12-23(15-25)11-10-16-6-4-5-9-18(16)29-23/h1-9H,10-15H2,(H,26,27)
InChIKeyDPPVJZSVIHCAPF-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.01
Rot. Bonds4

About 2-phenyl-5-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)-1,3-oxazole-4-carboxylic acid

2-phenyl-5-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 154800338) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-phenyl-5-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-5-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)-1,3-oxazole-4-carboxylic acid
PubChem CID154800338
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-phenyl-5-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)oc1CN1CCC2(CCc3ccccc3O2)C1
InChIInChI=1S/C23H22N2O4/c26-22(27)20-19(28-21(24-20)17-7-2-1-3-8-17)14-25-13-12-23(15-25)11-10-16-6-4-5-9-18(16)29-23/h1-9H,10-15H2,(H,26,27)
InChIKeyDPPVJZSVIHCAPF-UHFFFAOYSA-N
XLogP4.01
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-phenyl-5-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)-1,3-oxazole-4-carboxylic acid (CID 154800338) is 2-phenyl-5-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-phenyl-5-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-phenyl-5-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1nc(-c2ccccc2)oc1CN1CCC2(CCc3ccccc3O2)C1.
What is the InChIKey of 2-phenyl-5-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is DPPVJZSVIHCAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c26-22(27)20-19(28-21(24-20)17-7-2-1-3-8-17)14-25-13-12-23(15-25)11-10-16-6-4-5-9-18(16)29-23/h1-9H,10-15H2,(H,26,27).
What are the key properties of 2-phenyl-5-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)-1,3-oxazole-4-carboxylic acid?
2-phenyl-5-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 390.44 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 154800338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).