5-[4-[(4-pyrimidin-5-yl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-oxazol-3-one

C22H17N3O3 — CID 52919227

IUPAC5-[4-[(4-pyrimidin-5-yl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-oxazol-3-one
SMILESO=c1cc(-c2ccc(OC3CCc4c(-c5cncnc5)cccc43)cc2)o[nH]1
InChIInChI=1S/C22H17N3O3/c26-22-10-21(28-25-22)14-4-6-16(7-5-14)27-20-9-8-18-17(2-1-3-19(18)20)15-11-23-13-24-12-15/h1-7,10-13,20H,8-9H2,(H,25,26)
InChIKeyAXJXAYCLTOALAM-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.16
Rot. Bonds4

About 5-[4-[(4-pyrimidin-5-yl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-oxazol-3-one

5-[4-[(4-pyrimidin-5-yl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-oxazol-3-one (PubChem CID 52919227) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 5-[4-[(4-pyrimidin-5-yl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[4-[(4-pyrimidin-5-yl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-oxazol-3-one
PubChem CID52919227
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name5-[4-[(4-pyrimidin-5-yl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-oxazol-3-one
SMILESO=c1cc(-c2ccc(OC3CCc4c(-c5cncnc5)cccc43)cc2)o[nH]1
InChIInChI=1S/C22H17N3O3/c26-22-10-21(28-25-22)14-4-6-16(7-5-14)27-20-9-8-18-17(2-1-3-19(18)20)15-11-23-13-24-12-15/h1-7,10-13,20H,8-9H2,(H,25,26)
InChIKeyAXJXAYCLTOALAM-UHFFFAOYSA-N
XLogP4.16
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-[(4-pyrimidin-5-yl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-oxazol-3-one with MolForge

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Related Compounds

2-(5-Hydroxypentoxy)-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol
CID 59492471
2-[9-Hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
CID 59492964
N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5-(4-fluorophenyl)-N-methylpyrimidin-2-amine
CID 91599849
4-[4-(1,1-difluoro-2-methoxyethyl)phenoxy]-5-(2,3-dihydro-1H-inden-4-yl)pyrimidine
CID 135247000
5-[4-[(4-Decoxyphenyl)methoxy]phenyl]-2-octoxypyrimidine
CID 19863143
5-[2-[(2R)-1-(3-propan-2-yloxyphenyl)propan-2-yl]oxypyrimidin-5-yl]-1,2-oxazol-3-one
CID 44555077
5-[4-[[4-(2-methoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-oxazol-3-one
CID 52918984
5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 53307600
5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one
CID 70922769
5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)oxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one
CID 89753751
6-phenoxy-3'-pyrimidin-5-yloxyspiro[1,2-dihydroindene-3,5'-2H-1,2-oxazole]
CID 90733466
[(1S)-5-[3-[[2-chloro-5-(4-methoxyphenyl)pyrimidin-4-yl]-methylamino]propoxy]-2,3-dihydro-1H-inden-1-yl] butanoate
CID 91003626

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-pyrimidin-5-yl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-oxazol-3-one?
The IUPAC name of 5-[4-[(4-pyrimidin-5-yl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-oxazol-3-one (CID 52919227) is 5-[4-[(4-pyrimidin-5-yl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[4-[(4-pyrimidin-5-yl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[4-[(4-pyrimidin-5-yl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-oxazol-3-one is O=c1cc(-c2ccc(OC3CCc4c(-c5cncnc5)cccc43)cc2)o[nH]1.
What is the InChIKey of 5-[4-[(4-pyrimidin-5-yl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-oxazol-3-one?
The InChIKey is AXJXAYCLTOALAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c26-22-10-21(28-25-22)14-4-6-16(7-5-14)27-20-9-8-18-17(2-1-3-19(18)20)15-11-23-13-24-12-15/h1-7,10-13,20H,8-9H2,(H,25,26).
What are the key properties of 5-[4-[(4-pyrimidin-5-yl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-oxazol-3-one?
5-[4-[(4-pyrimidin-5-yl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-oxazol-3-one has a molecular weight of 371.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-pyrimidin-5-yl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-oxazol-3-one is sourced from PubChem (CID 52919227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).