[3-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,2-oxazol-5-yl]-diphenylmethanol

C28H27NO3 — CID 15238021

IUPAC[3-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,2-oxazol-5-yl]-diphenylmethanol
SMILESCOc1cccc2c1CCC(Cc1cc(C(O)(c3ccccc3)c3ccccc3)on1)C2
InChIInChI=1S/C28H27NO3/c1-31-26-14-8-9-21-17-20(15-16-25(21)26)18-24-19-27(32-29-24)28(30,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-14,19-20,30H,15-18H2,1H3
InChIKeyGZYZJRUMIWMOOH-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.32
Rot. Bonds6

About [3-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,2-oxazol-5-yl]-diphenylmethanol

[3-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,2-oxazol-5-yl]-diphenylmethanol (PubChem CID 15238021) has the molecular formula C28H27NO3 and a molecular weight of 425.53 g/mol. Its IUPAC name is [3-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,2-oxazol-5-yl]-diphenylmethanol.

Molecular Properties

Compound Name[3-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,2-oxazol-5-yl]-diphenylmethanol
PubChem CID15238021
Molecular FormulaC28H27NO3
Molecular Weight425.53 g/mol
Exact Mass425.20
IUPAC Name[3-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,2-oxazol-5-yl]-diphenylmethanol
SMILESCOc1cccc2c1CCC(Cc1cc(C(O)(c3ccccc3)c3ccccc3)on1)C2
InChIInChI=1S/C28H27NO3/c1-31-26-14-8-9-21-17-20(15-16-25(21)26)18-24-19-27(32-29-24)28(30,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-14,19-20,30H,15-18H2,1H3
InChIKeyGZYZJRUMIWMOOH-UHFFFAOYSA-N
XLogP5.32
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,2-oxazol-5-yl]-diphenylmethanol?
The IUPAC name of [3-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,2-oxazol-5-yl]-diphenylmethanol (CID 15238021) is [3-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,2-oxazol-5-yl]-diphenylmethanol.
What is the SMILES notation for [3-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,2-oxazol-5-yl]-diphenylmethanol?
The canonical SMILES for [3-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,2-oxazol-5-yl]-diphenylmethanol is COc1cccc2c1CCC(Cc1cc(C(O)(c3ccccc3)c3ccccc3)on1)C2.
What is the InChIKey of [3-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,2-oxazol-5-yl]-diphenylmethanol?
The InChIKey is GZYZJRUMIWMOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO3/c1-31-26-14-8-9-21-17-20(15-16-25(21)26)18-24-19-27(32-29-24)28(30,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-14,19-20,30H,15-18H2,1H3.
What are the key properties of [3-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,2-oxazol-5-yl]-diphenylmethanol?
[3-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,2-oxazol-5-yl]-diphenylmethanol has a molecular weight of 425.53 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,2-oxazol-5-yl]-diphenylmethanol is sourced from PubChem (CID 15238021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).