(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

C19H24N2O2 — CID 141287558

IUPAC(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
SMILESCc1cc2c(cc1OC(C)(C)[C@@H]1CN3CC=CN=C3O1)CCC2
InChIInChI=1S/C19H24N2O2/c1-13-10-14-6-4-7-15(14)11-16(13)23-19(2,3)17-12-21-9-5-8-20-18(21)22-17/h5,8,10-11,17H,4,6-7,9,12H2,1-3H3/t17-/m0/s1
InChIKeyZFDUBELRIKVBSA-KRWDZBQOSA-N
MW312.41 g/mol
LogP3.23
Rot. Bonds3

About (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

(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 (PubChem CID 141287558) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID141287558
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(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
SMILESCc1cc2c(cc1OC(C)(C)[C@@H]1CN3CC=CN=C3O1)CCC2
InChIInChI=1S/C19H24N2O2/c1-13-10-14-6-4-7-15(14)11-16(13)23-19(2,3)17-12-21-9-5-8-20-18(21)22-17/h5,8,10-11,17H,4,6-7,9,12H2,1-3H3/t17-/m0/s1
InChIKeyZFDUBELRIKVBSA-KRWDZBQOSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc2c(cc1OC(C)(C)[C@@H]1CN3CC=CN=C3O1)CCC2.
What is the InChIKey of (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?
The InChIKey is ZFDUBELRIKVBSA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-10-14-6-4-7-15(14)11-16(13)23-19(2,3)17-12-21-9-5-8-20-18(21)22-17/h5,8,10-11,17H,4,6-7,9,12H2,1-3H3/t17-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 312.41 g/mol, XLogP of 3.23, 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-methyl-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 141287558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).