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

C28H27NO2 — CID 15498976

IUPAC(4S)-2-[3-methoxy-2-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCOc1cc2ccccc2c(C2=N[C@@H](C(C)C)CO2)c1-c1ccc2ccccc2c1C
InChIInChI=1S/C28H27NO2/c1-17(2)24-16-31-28(29-24)27-23-12-8-6-10-20(23)15-25(30-4)26(27)22-14-13-19-9-5-7-11-21(19)18(22)3/h5-15,17,24H,16H2,1-4H3/t24-/m1/s1
InChIKeyRNIXPIGDUMCFEO-XMMPIXPASA-N
MW409.53 g/mol
LogP6.78
Rot. Bonds4

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

(4S)-2-[3-methoxy-2-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 15498976) has the molecular formula C28H27NO2 and a molecular weight of 409.53 g/mol. Its IUPAC name is (4S)-2-[3-methoxy-2-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[3-methoxy-2-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID15498976
Molecular FormulaC28H27NO2
Molecular Weight409.53 g/mol
Exact Mass409.20
IUPAC Name(4S)-2-[3-methoxy-2-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCOc1cc2ccccc2c(C2=N[C@@H](C(C)C)CO2)c1-c1ccc2ccccc2c1C
InChIInChI=1S/C28H27NO2/c1-17(2)24-16-31-28(29-24)27-23-12-8-6-10-20(23)15-25(30-4)26(27)22-14-13-19-9-5-7-11-21(19)18(22)3/h5-15,17,24H,16H2,1-4H3/t24-/m1/s1
InChIKeyRNIXPIGDUMCFEO-XMMPIXPASA-N
XLogP6.78
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 56.78
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-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[3-methoxy-2-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 15498976) is (4S)-2-[3-methoxy-2-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[3-methoxy-2-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[3-methoxy-2-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is COc1cc2ccccc2c(C2=N[C@@H](C(C)C)CO2)c1-c1ccc2ccccc2c1C.
What is the InChIKey of (4S)-2-[3-methoxy-2-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is RNIXPIGDUMCFEO-XMMPIXPASA-N. The full InChI is InChI=1S/C28H27NO2/c1-17(2)24-16-31-28(29-24)27-23-12-8-6-10-20(23)15-25(30-4)26(27)22-14-13-19-9-5-7-11-21(19)18(22)3/h5-15,17,24H,16H2,1-4H3/t24-/m1/s1.
What are the key properties of (4S)-2-[3-methoxy-2-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-[3-methoxy-2-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 409.53 g/mol, XLogP of 6.78, 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-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15498976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).