6-phenoxy-3'-pyrimidin-5-yloxyspiro[1,2-dihydroindene-3,5'-2H-1,2-oxazole]

C21H17N3O3 — CID 90733466

IUPAC6-phenoxy-3'-pyrimidin-5-yloxyspiro[1,2-dihydroindene-3,5'-2H-1,2-oxazole]
SMILESC1=C(Oc2cncnc2)NOC12CCc1cc(Oc3ccccc3)ccc12
InChIInChI=1S/C21H17N3O3/c1-2-4-16(5-3-1)25-17-6-7-19-15(10-17)8-9-21(19)11-20(24-27-21)26-18-12-22-14-23-13-18/h1-7,10-14,24H,8-9H2
InChIKeyNLJPHHCDLTVPFP-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.87
Rot. Bonds4

About 6-phenoxy-3'-pyrimidin-5-yloxyspiro[1,2-dihydroindene-3,5'-2H-1,2-oxazole]

6-phenoxy-3'-pyrimidin-5-yloxyspiro[1,2-dihydroindene-3,5'-2H-1,2-oxazole] (PubChem CID 90733466) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 6-phenoxy-3'-pyrimidin-5-yloxyspiro[1,2-dihydroindene-3,5'-2H-1,2-oxazole].

Molecular Properties

Compound Name6-phenoxy-3'-pyrimidin-5-yloxyspiro[1,2-dihydroindene-3,5'-2H-1,2-oxazole]
PubChem CID90733466
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name6-phenoxy-3'-pyrimidin-5-yloxyspiro[1,2-dihydroindene-3,5'-2H-1,2-oxazole]
SMILESC1=C(Oc2cncnc2)NOC12CCc1cc(Oc3ccccc3)ccc12
InChIInChI=1S/C21H17N3O3/c1-2-4-16(5-3-1)25-17-6-7-19-15(10-17)8-9-21(19)11-20(24-27-21)26-18-12-22-14-23-13-18/h1-7,10-14,24H,8-9H2
InChIKeyNLJPHHCDLTVPFP-UHFFFAOYSA-N
XLogP3.87
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-3'-pyrimidin-5-yloxyspiro[1,2-dihydroindene-3,5'-2H-1,2-oxazole]?
The IUPAC name of 6-phenoxy-3'-pyrimidin-5-yloxyspiro[1,2-dihydroindene-3,5'-2H-1,2-oxazole] (CID 90733466) is 6-phenoxy-3'-pyrimidin-5-yloxyspiro[1,2-dihydroindene-3,5'-2H-1,2-oxazole].
What is the SMILES notation for 6-phenoxy-3'-pyrimidin-5-yloxyspiro[1,2-dihydroindene-3,5'-2H-1,2-oxazole]?
The canonical SMILES for 6-phenoxy-3'-pyrimidin-5-yloxyspiro[1,2-dihydroindene-3,5'-2H-1,2-oxazole] is C1=C(Oc2cncnc2)NOC12CCc1cc(Oc3ccccc3)ccc12.
What is the InChIKey of 6-phenoxy-3'-pyrimidin-5-yloxyspiro[1,2-dihydroindene-3,5'-2H-1,2-oxazole]?
The InChIKey is NLJPHHCDLTVPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-2-4-16(5-3-1)25-17-6-7-19-15(10-17)8-9-21(19)11-20(24-27-21)26-18-12-22-14-23-13-18/h1-7,10-14,24H,8-9H2.
What are the key properties of 6-phenoxy-3'-pyrimidin-5-yloxyspiro[1,2-dihydroindene-3,5'-2H-1,2-oxazole]?
6-phenoxy-3'-pyrimidin-5-yloxyspiro[1,2-dihydroindene-3,5'-2H-1,2-oxazole] has a molecular weight of 359.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-3'-pyrimidin-5-yloxyspiro[1,2-dihydroindene-3,5'-2H-1,2-oxazole] is sourced from PubChem (CID 90733466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).