1'-(1,3-benzoxazol-2-yl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one

C20H18N2O4 — CID 108778686

IUPAC1'-(1,3-benzoxazol-2-yl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCOc1ccc2c(c1)C(=O)CC1(CCN(c3nc4ccccc4o3)C1)O2
InChIInChI=1S/C20H18N2O4/c1-24-13-6-7-17-14(10-13)16(23)11-20(26-17)8-9-22(12-20)19-21-15-4-2-3-5-18(15)25-19/h2-7,10H,8-9,11-12H2,1H3
InChIKeyCEAWODIVFBHAAJ-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.45
Rot. Bonds2

About 1'-(1,3-benzoxazol-2-yl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one

1'-(1,3-benzoxazol-2-yl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 108778686) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 1'-(1,3-benzoxazol-2-yl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name1'-(1,3-benzoxazol-2-yl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID108778686
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name1'-(1,3-benzoxazol-2-yl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCOc1ccc2c(c1)C(=O)CC1(CCN(c3nc4ccccc4o3)C1)O2
InChIInChI=1S/C20H18N2O4/c1-24-13-6-7-17-14(10-13)16(23)11-20(26-17)8-9-22(12-20)19-21-15-4-2-3-5-18(15)25-19/h2-7,10H,8-9,11-12H2,1H3
InChIKeyCEAWODIVFBHAAJ-UHFFFAOYSA-N
XLogP3.45
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(1,3-benzoxazol-2-yl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 1'-(1,3-benzoxazol-2-yl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 108778686) is 1'-(1,3-benzoxazol-2-yl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 1'-(1,3-benzoxazol-2-yl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 1'-(1,3-benzoxazol-2-yl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one is COc1ccc2c(c1)C(=O)CC1(CCN(c3nc4ccccc4o3)C1)O2.
What is the InChIKey of 1'-(1,3-benzoxazol-2-yl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is CEAWODIVFBHAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-24-13-6-7-17-14(10-13)16(23)11-20(26-17)8-9-22(12-20)19-21-15-4-2-3-5-18(15)25-19/h2-7,10H,8-9,11-12H2,1H3.
What are the key properties of 1'-(1,3-benzoxazol-2-yl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
1'-(1,3-benzoxazol-2-yl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 350.37 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1,3-benzoxazol-2-yl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 108778686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).