1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)propan-2-one

C16H17NO2 — CID 159533286

IUPAC1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)propan-2-one
SMILESCc1nocc1CC(=O)C[C@H]1CCc2ccccc21
InChIInChI=1S/C16H17NO2/c1-11-14(10-19-17-11)9-15(18)8-13-7-6-12-4-2-3-5-16(12)13/h2-5,10,13H,6-9H2,1H3/t13-/m1/s1
InChIKeyXFKNVJXZPBFWJH-CYBMUJFWSA-N
MW255.32 g/mol
LogP3.21
Rot. Bonds4

About 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)propan-2-one

1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)propan-2-one (PubChem CID 159533286) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)propan-2-one
PubChem CID159533286
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)propan-2-one
SMILESCc1nocc1CC(=O)C[C@H]1CCc2ccccc21
InChIInChI=1S/C16H17NO2/c1-11-14(10-19-17-11)9-15(18)8-13-7-6-12-4-2-3-5-16(12)13/h2-5,10,13H,6-9H2,1H3/t13-/m1/s1
InChIKeyXFKNVJXZPBFWJH-CYBMUJFWSA-N
XLogP3.21
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)propan-2-one?
The IUPAC name of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)propan-2-one (CID 159533286) is 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)propan-2-one.
What is the SMILES notation for 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)propan-2-one?
The canonical SMILES for 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)propan-2-one is Cc1nocc1CC(=O)C[C@H]1CCc2ccccc21.
What is the InChIKey of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)propan-2-one?
The InChIKey is XFKNVJXZPBFWJH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-14(10-19-17-11)9-15(18)8-13-7-6-12-4-2-3-5-16(12)13/h2-5,10,13H,6-9H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)propan-2-one?
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)propan-2-one has a molecular weight of 255.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)propan-2-one is sourced from PubChem (CID 159533286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).