(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

C18H21BrN2O2 — CID 141287555

IUPAC(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
SMILESCC(C)(Oc1cc2c(cc1Br)CCC2)[C@@H]1CN2CC=CN=C2O1
InChIInChI=1S/C18H21BrN2O2/c1-18(2,16-11-21-8-4-7-20-17(21)22-16)23-15-10-13-6-3-5-12(13)9-14(15)19/h4,7,9-10,16H,3,5-6,8,11H2,1-2H3/t16-/m0/s1
InChIKeyRJHOEUOIWWBJQU-INIZCTEOSA-N
MW377.28 g/mol
LogP3.68
Rot. Bonds3

About (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

(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 (PubChem CID 141287555) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID141287555
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name(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
SMILESCC(C)(Oc1cc2c(cc1Br)CCC2)[C@@H]1CN2CC=CN=C2O1
InChIInChI=1S/C18H21BrN2O2/c1-18(2,16-11-21-8-4-7-20-17(21)22-16)23-15-10-13-6-3-5-12(13)9-14(15)19/h4,7,9-10,16H,3,5-6,8,11H2,1-2H3/t16-/m0/s1
InChIKeyRJHOEUOIWWBJQU-INIZCTEOSA-N
XLogP3.68
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Related Compounds

(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-(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
(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
5-bromo-6-propan-2-yl-2,3-dihydro-1H-indene
CID 90144700
tert-butyl 3-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxylate
CID 170428843
2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-2-amine
CID 117339402
trimethyl-(6-trimethylsilyl-2,3-dihydro-1H-inden-5-yl)silane
CID 15556969
(7-bromo-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanol
CID 91457483
7-bromo-3-methyl-8-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine
CID 91591578
methyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate
CID 125427256
7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 82279765
9-bromo-1-tert-butyl-8-methoxy-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 59626650

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)(Oc1cc2c(cc1Br)CCC2)[C@@H]1CN2CC=CN=C2O1.
What is the InChIKey of (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?
The InChIKey is RJHOEUOIWWBJQU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-18(2,16-11-21-8-4-7-20-17(21)22-16)23-15-10-13-6-3-5-12(13)9-14(15)19/h4,7,9-10,16H,3,5-6,8,11H2,1-2H3/t16-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 377.28 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 141287555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).