(4S)-2-(3-methoxy-2-naphthalen-2-ylnaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C27H25NO2 — CID 15498969

IUPAC(4S)-2-(3-methoxy-2-naphthalen-2-ylnaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCOc1cc2ccccc2c(C2=N[C@@H](C(C)C)CO2)c1-c1ccc2ccccc2c1
InChIInChI=1S/C27H25NO2/c1-17(2)23-16-30-27(28-23)26-22-11-7-6-10-20(22)15-24(29-3)25(26)21-13-12-18-8-4-5-9-19(18)14-21/h4-15,17,23H,16H2,1-3H3/t23-/m1/s1
InChIKeyFPMXGPSUOKVNNX-HSZRJFAPSA-N
MW395.50 g/mol
LogP6.47
Rot. Bonds4

About (4S)-2-(3-methoxy-2-naphthalen-2-ylnaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

(4S)-2-(3-methoxy-2-naphthalen-2-ylnaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 15498969) has the molecular formula C27H25NO2 and a molecular weight of 395.50 g/mol. Its IUPAC name is (4S)-2-(3-methoxy-2-naphthalen-2-ylnaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-(3-methoxy-2-naphthalen-2-ylnaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID15498969
Molecular FormulaC27H25NO2
Molecular Weight395.50 g/mol
Exact Mass395.19
IUPAC Name(4S)-2-(3-methoxy-2-naphthalen-2-ylnaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCOc1cc2ccccc2c(C2=N[C@@H](C(C)C)CO2)c1-c1ccc2ccccc2c1
InChIInChI=1S/C27H25NO2/c1-17(2)23-16-30-27(28-23)26-22-11-7-6-10-20(22)15-24(29-3)25(26)21-13-12-18-8-4-5-9-19(18)14-21/h4-15,17,23H,16H2,1-3H3/t23-/m1/s1
InChIKeyFPMXGPSUOKVNNX-HSZRJFAPSA-N
XLogP6.47
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(3-methoxy-2-naphthalen-2-ylnaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-(3-methoxy-2-naphthalen-2-ylnaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 15498969) is (4S)-2-(3-methoxy-2-naphthalen-2-ylnaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-(3-methoxy-2-naphthalen-2-ylnaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-(3-methoxy-2-naphthalen-2-ylnaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is COc1cc2ccccc2c(C2=N[C@@H](C(C)C)CO2)c1-c1ccc2ccccc2c1.
What is the InChIKey of (4S)-2-(3-methoxy-2-naphthalen-2-ylnaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is FPMXGPSUOKVNNX-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H25NO2/c1-17(2)23-16-30-27(28-23)26-22-11-7-6-10-20(22)15-24(29-3)25(26)21-13-12-18-8-4-5-9-19(18)14-21/h4-15,17,23H,16H2,1-3H3/t23-/m1/s1.
What are the key properties of (4S)-2-(3-methoxy-2-naphthalen-2-ylnaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-(3-methoxy-2-naphthalen-2-ylnaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 395.50 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(3-methoxy-2-naphthalen-2-ylnaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15498969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).