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

C28H27NO3 — CID 15498971

IUPAC(4S)-2-[3-methoxy-2-(1-methoxynaphthalen-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-c1ccc2ccccc2c1OC
InChIInChI=1S/C28H27NO3/c1-17(2)23-16-32-28(29-23)26-20-11-7-6-10-19(20)15-24(30-3)25(26)22-14-13-18-9-5-8-12-21(18)27(22)31-4/h5-15,17,23H,16H2,1-4H3/t23-/m1/s1
InChIKeyQWFRUFMZMDHGAT-HSZRJFAPSA-N
MW425.53 g/mol
LogP6.48
Rot. Bonds5

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

(4S)-2-[3-methoxy-2-(1-methoxynaphthalen-2-yl)naphthalen-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 15498971) has the molecular formula C28H27NO3 and a molecular weight of 425.53 g/mol. Its IUPAC name is (4S)-2-[3-methoxy-2-(1-methoxynaphthalen-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-methoxynaphthalen-2-yl)naphthalen-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID15498971
Molecular FormulaC28H27NO3
Molecular Weight425.53 g/mol
Exact Mass425.20
IUPAC Name(4S)-2-[3-methoxy-2-(1-methoxynaphthalen-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-c1ccc2ccccc2c1OC
InChIInChI=1S/C28H27NO3/c1-17(2)23-16-32-28(29-23)26-20-11-7-6-10-19(20)15-24(30-3)25(26)22-14-13-18-9-5-8-12-21(18)27(22)31-4/h5-15,17,23H,16H2,1-4H3/t23-/m1/s1
InChIKeyQWFRUFMZMDHGAT-HSZRJFAPSA-N
XLogP6.48
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-[3-methoxy-2-(1-methoxynaphthalen-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-methoxynaphthalen-2-yl)naphthalen-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 15498971) is (4S)-2-[3-methoxy-2-(1-methoxynaphthalen-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-methoxynaphthalen-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-methoxynaphthalen-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-c1ccc2ccccc2c1OC.
What is the InChIKey of (4S)-2-[3-methoxy-2-(1-methoxynaphthalen-2-yl)naphthalen-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is QWFRUFMZMDHGAT-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H27NO3/c1-17(2)23-16-32-28(29-23)26-20-11-7-6-10-19(20)15-24(30-3)25(26)22-14-13-18-9-5-8-12-21(18)27(22)31-4/h5-15,17,23H,16H2,1-4H3/t23-/m1/s1.
What are the key properties of (4S)-2-[3-methoxy-2-(1-methoxynaphthalen-2-yl)naphthalen-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-[3-methoxy-2-(1-methoxynaphthalen-2-yl)naphthalen-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 425.53 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[3-methoxy-2-(1-methoxynaphthalen-2-yl)naphthalen-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15498971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).