(2S)-2-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

C18H20N2O3 — CID 67053797

IUPAC(2S)-2-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCC(C)(Oc1ccc2c(c1)CCC2)[C@@H]1Cn2ccc(=O)nc2O1
InChIInChI=1S/C18H20N2O3/c1-18(2,15-11-20-9-8-16(21)19-17(20)22-15)23-14-7-6-12-4-3-5-13(12)10-14/h6-10,15H,3-5,11H2,1-2H3/t15-/m0/s1
InChIKeyBEPGHQXRAUCSEP-HNNXBMFYSA-N
MW312.37 g/mol
LogP2.35
Rot. Bonds3

About (2S)-2-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

(2S)-2-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (PubChem CID 67053797) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2S)-2-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name(2S)-2-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
PubChem CID67053797
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(2S)-2-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCC(C)(Oc1ccc2c(c1)CCC2)[C@@H]1Cn2ccc(=O)nc2O1
InChIInChI=1S/C18H20N2O3/c1-18(2,15-11-20-9-8-16(21)19-17(20)22-15)23-14-7-6-12-4-3-5-13(12)10-14/h6-10,15H,3-5,11H2,1-2H3/t15-/m0/s1
InChIKeyBEPGHQXRAUCSEP-HNNXBMFYSA-N
XLogP2.35
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one with MolForge

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Related Compounds

(2S)-2-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-5-methyl-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine
CID 141287559
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate
CID 82129231
(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
2-[[4-(3,3,5,5-tetramethylcyclohexyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 68527593
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 133267766
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-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 28917689
2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 39286821
5-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437812
3-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid
CID 82086851
3-[5-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-3-methyl-1,2,4-triazol-1-yl]thiolane 1,1-dioxide
CID 72866772
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-methylimidazole
CID 82084910

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of (2S)-2-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (CID 67053797) is (2S)-2-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for (2S)-2-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for (2S)-2-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is CC(C)(Oc1ccc2c(c1)CCC2)[C@@H]1Cn2ccc(=O)nc2O1.
What is the InChIKey of (2S)-2-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The InChIKey is BEPGHQXRAUCSEP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-18(2,15-11-20-9-8-16(21)19-17(20)22-15)23-14-7-6-12-4-3-5-13(12)10-14/h6-10,15H,3-5,11H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-2-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
(2S)-2-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one has a molecular weight of 312.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 67053797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).