1,6-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylcyclohexa-2,4-dien-1-ol

C22H26N2O3 — CID 134305233

IUPAC1,6-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylcyclohexa-2,4-dien-1-ol
SMILESCC1(C)COC(C2C=C(c3ccccc3)C=CC2(O)C2=NC(C)(C)CO2)=N1
InChIInChI=1S/C22H26N2O3/c1-20(2)13-26-18(23-20)17-12-16(15-8-6-5-7-9-15)10-11-22(17,25)19-24-21(3,4)14-27-19/h5-12,17,25H,13-14H2,1-4H3
InChIKeyWMQOQNVVBYHHOL-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.40
Rot. Bonds3

About 1,6-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylcyclohexa-2,4-dien-1-ol

1,6-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylcyclohexa-2,4-dien-1-ol (PubChem CID 134305233) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1,6-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,6-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylcyclohexa-2,4-dien-1-ol
PubChem CID134305233
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1,6-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylcyclohexa-2,4-dien-1-ol
SMILESCC1(C)COC(C2C=C(c3ccccc3)C=CC2(O)C2=NC(C)(C)CO2)=N1
InChIInChI=1S/C22H26N2O3/c1-20(2)13-26-18(23-20)17-12-16(15-8-6-5-7-9-15)10-11-22(17,25)19-24-21(3,4)14-27-19/h5-12,17,25H,13-14H2,1-4H3
InChIKeyWMQOQNVVBYHHOL-UHFFFAOYSA-N
XLogP3.40
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,6-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,6-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylcyclohexa-2,4-dien-1-ol (CID 134305233) is 1,6-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,6-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,6-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylcyclohexa-2,4-dien-1-ol is CC1(C)COC(C2C=C(c3ccccc3)C=CC2(O)C2=NC(C)(C)CO2)=N1.
What is the InChIKey of 1,6-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylcyclohexa-2,4-dien-1-ol?
The InChIKey is WMQOQNVVBYHHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-20(2)13-26-18(23-20)17-12-16(15-8-6-5-7-9-15)10-11-22(17,25)19-24-21(3,4)14-27-19/h5-12,17,25H,13-14H2,1-4H3.
What are the key properties of 1,6-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylcyclohexa-2,4-dien-1-ol?
1,6-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylcyclohexa-2,4-dien-1-ol has a molecular weight of 366.46 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 134305233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).