2-[2-[4-(2,3-dihydro-1H-inden-1-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

C23H22N2O2 — CID 70293193

IUPAC2-[2-[4-(2,3-dihydro-1H-inden-1-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESO=c1ccn2c(n1)OC(CCc1ccc(C3CCc4ccccc43)cc1)C2
InChIInChI=1S/C23H22N2O2/c26-22-13-14-25-15-19(27-23(25)24-22)11-7-16-5-8-18(9-6-16)21-12-10-17-3-1-2-4-20(17)21/h1-6,8-9,13-14,19,21H,7,10-12,15H2
InChIKeyHHIFJACVHVZJNK-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.72
Rot. Bonds4

About 2-[2-[4-(2,3-dihydro-1H-inden-1-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

2-[2-[4-(2,3-dihydro-1H-inden-1-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (PubChem CID 70293193) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[2-[4-(2,3-dihydro-1H-inden-1-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[2-[4-(2,3-dihydro-1H-inden-1-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
PubChem CID70293193
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name2-[2-[4-(2,3-dihydro-1H-inden-1-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESO=c1ccn2c(n1)OC(CCc1ccc(C3CCc4ccccc43)cc1)C2
InChIInChI=1S/C23H22N2O2/c26-22-13-14-25-15-19(27-23(25)24-22)11-7-16-5-8-18(9-6-16)21-12-10-17-3-1-2-4-20(17)21/h1-6,8-9,13-14,19,21H,7,10-12,15H2
InChIKeyHHIFJACVHVZJNK-UHFFFAOYSA-N
XLogP3.72
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 25072994
2-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 70293009
(1R)-1-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 132584955
2-[[4-(2-ethylphenyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 67060075
benzyl 4-[(1R)-2,3-dihydro-1H-inden-1-yl]benzoate
CID 102289871
5-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]furan-2-carboxylic acid
CID 10336968
(2S)-2-[(6-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 51030968
(2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene
CID 162778630
(2S)-2-[(6-chloro-1,1-dimethyl-2,3-dihydroinden-5-yl)oxymethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 51030967
1-(2,3-dihydro-1H-inden-5-yl)-2,3-dihydro-1H-indene
CID 173404050
2-[(1R)-2,3-dihydro-1H-inden-1-yl]naphthalene;methoxymethane
CID 142137917
3-(2,3-dihydro-1H-inden-1-yl)-6-[2-(methylamino)ethyl]quinolin-2-amine
CID 68640200

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2,3-dihydro-1H-inden-1-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 2-[2-[4-(2,3-dihydro-1H-inden-1-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (CID 70293193) is 2-[2-[4-(2,3-dihydro-1H-inden-1-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 2-[2-[4-(2,3-dihydro-1H-inden-1-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 2-[2-[4-(2,3-dihydro-1H-inden-1-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is O=c1ccn2c(n1)OC(CCc1ccc(C3CCc4ccccc43)cc1)C2.
What is the InChIKey of 2-[2-[4-(2,3-dihydro-1H-inden-1-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The InChIKey is HHIFJACVHVZJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c26-22-13-14-25-15-19(27-23(25)24-22)11-7-16-5-8-18(9-6-16)21-12-10-17-3-1-2-4-20(17)21/h1-6,8-9,13-14,19,21H,7,10-12,15H2.
What are the key properties of 2-[2-[4-(2,3-dihydro-1H-inden-1-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
2-[2-[4-(2,3-dihydro-1H-inden-1-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one has a molecular weight of 358.44 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2,3-dihydro-1H-inden-1-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 70293193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).