1'-[[3-(propan-2-yloxymethyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[3,4-dihydrochromene-2,3'-pyrrolidine]

C19H25N3O3 — CID 167897706

IUPAC1'-[[3-(propan-2-yloxymethyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[3,4-dihydrochromene-2,3'-pyrrolidine]
SMILESCC(C)OCc1noc(CN2CCC3(CCc4ccccc4O3)C2)n1
InChIInChI=1S/C19H25N3O3/c1-14(2)23-12-17-20-18(25-21-17)11-22-10-9-19(13-22)8-7-15-5-3-4-6-16(15)24-19/h3-6,14H,7-13H2,1-2H3
InChIKeyCWDLLNWCBRVYGD-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.96
Rot. Bonds5

About 1'-[[3-(propan-2-yloxymethyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[3,4-dihydrochromene-2,3'-pyrrolidine]

1'-[[3-(propan-2-yloxymethyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[3,4-dihydrochromene-2,3'-pyrrolidine] (PubChem CID 167897706) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1'-[[3-(propan-2-yloxymethyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[3,4-dihydrochromene-2,3'-pyrrolidine].

Molecular Properties

Compound Name1'-[[3-(propan-2-yloxymethyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[3,4-dihydrochromene-2,3'-pyrrolidine]
PubChem CID167897706
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1'-[[3-(propan-2-yloxymethyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[3,4-dihydrochromene-2,3'-pyrrolidine]
SMILESCC(C)OCc1noc(CN2CCC3(CCc4ccccc4O3)C2)n1
InChIInChI=1S/C19H25N3O3/c1-14(2)23-12-17-20-18(25-21-17)11-22-10-9-19(13-22)8-7-15-5-3-4-6-16(15)24-19/h3-6,14H,7-13H2,1-2H3
InChIKeyCWDLLNWCBRVYGD-UHFFFAOYSA-N
XLogP2.96
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[[3-(propan-2-yloxymethyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
The IUPAC name of 1'-[[3-(propan-2-yloxymethyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[3,4-dihydrochromene-2,3'-pyrrolidine] (CID 167897706) is 1'-[[3-(propan-2-yloxymethyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[3,4-dihydrochromene-2,3'-pyrrolidine].
What is the SMILES notation for 1'-[[3-(propan-2-yloxymethyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
The canonical SMILES for 1'-[[3-(propan-2-yloxymethyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[3,4-dihydrochromene-2,3'-pyrrolidine] is CC(C)OCc1noc(CN2CCC3(CCc4ccccc4O3)C2)n1.
What is the InChIKey of 1'-[[3-(propan-2-yloxymethyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
The InChIKey is CWDLLNWCBRVYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(2)23-12-17-20-18(25-21-17)11-22-10-9-19(13-22)8-7-15-5-3-4-6-16(15)24-19/h3-6,14H,7-13H2,1-2H3.
What are the key properties of 1'-[[3-(propan-2-yloxymethyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
1'-[[3-(propan-2-yloxymethyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[3,4-dihydrochromene-2,3'-pyrrolidine] has a molecular weight of 343.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[3-(propan-2-yloxymethyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[3,4-dihydrochromene-2,3'-pyrrolidine] is sourced from PubChem (CID 167897706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).