(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

C19H24N2O2 — CID 141287559

IUPAC(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
SMILESCC1C=CN=C2O[C@H](C(C)(C)Oc3ccc4c(c3)CCC4)CN21
InChIInChI=1S/C19H24N2O2/c1-13-9-10-20-18-21(13)12-17(22-18)19(2,3)23-16-8-7-14-5-4-6-15(14)11-16/h7-11,13,17H,4-6,12H2,1-3H3/t13?,17-/m0/s1
InChIKeyKHDYVDSULFTJIG-RUINGEJQSA-N
MW312.41 g/mol
LogP3.31
Rot. Bonds3

About (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

(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 (PubChem CID 141287559) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID141287559
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(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
SMILESCC1C=CN=C2O[C@H](C(C)(C)Oc3ccc4c(c3)CCC4)CN21
InChIInChI=1S/C19H24N2O2/c1-13-9-10-20-18-21(13)12-17(22-18)19(2,3)23-16-8-7-14-5-4-6-15(14)11-16/h7-11,13,17H,4-6,12H2,1-3H3/t13?,17-/m0/s1
InChIKeyKHDYVDSULFTJIG-RUINGEJQSA-N
XLogP3.31
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Related Compounds

(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
(2S)-2-[2-[(6-methyl-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-yl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine
CID 141287558
(2S)-2-[2-[(6-bromo-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-yl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine
CID 141287555
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 28917689
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate
CID 82129231
5-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437812
4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine
CID 2993602
4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine;hydrochloride
CID 2993601
2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-2-methylbutan-1-amine
CID 62353443
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 133267766
2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 39286821
3-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid
CID 82086851

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1C=CN=C2O[C@H](C(C)(C)Oc3ccc4c(c3)CCC4)CN21.
What is the InChIKey of (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?
The InChIKey is KHDYVDSULFTJIG-RUINGEJQSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-9-10-20-18-21(13)12-17(22-18)19(2,3)23-16-8-7-14-5-4-6-15(14)11-16/h7-11,13,17H,4-6,12H2,1-3H3/t13?,17-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 312.41 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 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]-5-methyl-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine is sourced from PubChem (CID 141287559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).