5-ethyl-4-[2-[[(1R)-1-ethyl-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-2-(4-methoxyphenyl)-1,3-oxazole

C25H29NO3 — CID 134571787

IUPAC5-ethyl-4-[2-[[(1R)-1-ethyl-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-2-(4-methoxyphenyl)-1,3-oxazole
SMILESCCc1oc(-c2ccc(OC)cc2)nc1CCOc1ccc2c(c1)CC[C@H]2CC
InChIInChI=1S/C25H29NO3/c1-4-17-6-7-19-16-21(12-13-22(17)19)28-15-14-23-24(5-2)29-25(26-23)18-8-10-20(27-3)11-9-18/h8-13,16-17H,4-7,14-15H2,1-3H3/t17-/m1/s1
InChIKeyCYXTVFZCQWUGAX-QGZVFWFLSA-N
MW391.51 g/mol
LogP5.97
Rot. Bonds8

About 5-ethyl-4-[2-[[(1R)-1-ethyl-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-2-(4-methoxyphenyl)-1,3-oxazole

5-ethyl-4-[2-[[(1R)-1-ethyl-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-2-(4-methoxyphenyl)-1,3-oxazole (PubChem CID 134571787) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is 5-ethyl-4-[2-[[(1R)-1-ethyl-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-2-(4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-4-[2-[[(1R)-1-ethyl-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-2-(4-methoxyphenyl)-1,3-oxazole
PubChem CID134571787
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name5-ethyl-4-[2-[[(1R)-1-ethyl-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-2-(4-methoxyphenyl)-1,3-oxazole
SMILESCCc1oc(-c2ccc(OC)cc2)nc1CCOc1ccc2c(c1)CC[C@H]2CC
InChIInChI=1S/C25H29NO3/c1-4-17-6-7-19-16-21(12-13-22(17)19)28-15-14-23-24(5-2)29-25(26-23)18-8-10-20(27-3)11-9-18/h8-13,16-17H,4-7,14-15H2,1-3H3/t17-/m1/s1
InChIKeyCYXTVFZCQWUGAX-QGZVFWFLSA-N
XLogP5.97
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[2-[[(1R)-1-ethyl-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-2-(4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 5-ethyl-4-[2-[[(1R)-1-ethyl-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-2-(4-methoxyphenyl)-1,3-oxazole (CID 134571787) is 5-ethyl-4-[2-[[(1R)-1-ethyl-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-2-(4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 5-ethyl-4-[2-[[(1R)-1-ethyl-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-2-(4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 5-ethyl-4-[2-[[(1R)-1-ethyl-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-2-(4-methoxyphenyl)-1,3-oxazole is CCc1oc(-c2ccc(OC)cc2)nc1CCOc1ccc2c(c1)CC[C@H]2CC.
What is the InChIKey of 5-ethyl-4-[2-[[(1R)-1-ethyl-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-2-(4-methoxyphenyl)-1,3-oxazole?
The InChIKey is CYXTVFZCQWUGAX-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H29NO3/c1-4-17-6-7-19-16-21(12-13-22(17)19)28-15-14-23-24(5-2)29-25(26-23)18-8-10-20(27-3)11-9-18/h8-13,16-17H,4-7,14-15H2,1-3H3/t17-/m1/s1.
What are the key properties of 5-ethyl-4-[2-[[(1R)-1-ethyl-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-2-(4-methoxyphenyl)-1,3-oxazole?
5-ethyl-4-[2-[[(1R)-1-ethyl-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-2-(4-methoxyphenyl)-1,3-oxazole has a molecular weight of 391.51 g/mol, XLogP of 5.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[2-[[(1R)-1-ethyl-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-2-(4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 134571787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).