3,5-dimethyl-4-(5-phenyl-3-propylcyclohexa-1,3-dien-1-yl)-1,2-oxazole

C20H23NO — CID 175809655

IUPAC3,5-dimethyl-4-(5-phenyl-3-propylcyclohexa-1,3-dien-1-yl)-1,2-oxazole
SMILESCCCC1=CC(c2ccccc2)CC(c2c(C)noc2C)=C1
InChIInChI=1S/C20H23NO/c1-4-8-16-11-18(17-9-6-5-7-10-17)13-19(12-16)20-14(2)21-22-15(20)3/h5-7,9-12,18H,4,8,13H2,1-3H3
InChIKeyIOPADBKFJQEXEC-UHFFFAOYSA-N
MW293.41 g/mol
LogP5.59
Rot. Bonds4

About 3,5-dimethyl-4-(5-phenyl-3-propylcyclohexa-1,3-dien-1-yl)-1,2-oxazole

3,5-dimethyl-4-(5-phenyl-3-propylcyclohexa-1,3-dien-1-yl)-1,2-oxazole (PubChem CID 175809655) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 3,5-dimethyl-4-(5-phenyl-3-propylcyclohexa-1,3-dien-1-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(5-phenyl-3-propylcyclohexa-1,3-dien-1-yl)-1,2-oxazole
PubChem CID175809655
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name3,5-dimethyl-4-(5-phenyl-3-propylcyclohexa-1,3-dien-1-yl)-1,2-oxazole
SMILESCCCC1=CC(c2ccccc2)CC(c2c(C)noc2C)=C1
InChIInChI=1S/C20H23NO/c1-4-8-16-11-18(17-9-6-5-7-10-17)13-19(12-16)20-14(2)21-22-15(20)3/h5-7,9-12,18H,4,8,13H2,1-3H3
InChIKeyIOPADBKFJQEXEC-UHFFFAOYSA-N
XLogP5.59
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.41
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(5-phenyl-3-propylcyclohexa-1,3-dien-1-yl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(5-phenyl-3-propylcyclohexa-1,3-dien-1-yl)-1,2-oxazole (CID 175809655) is 3,5-dimethyl-4-(5-phenyl-3-propylcyclohexa-1,3-dien-1-yl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(5-phenyl-3-propylcyclohexa-1,3-dien-1-yl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(5-phenyl-3-propylcyclohexa-1,3-dien-1-yl)-1,2-oxazole is CCCC1=CC(c2ccccc2)CC(c2c(C)noc2C)=C1.
What is the InChIKey of 3,5-dimethyl-4-(5-phenyl-3-propylcyclohexa-1,3-dien-1-yl)-1,2-oxazole?
The InChIKey is IOPADBKFJQEXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-4-8-16-11-18(17-9-6-5-7-10-17)13-19(12-16)20-14(2)21-22-15(20)3/h5-7,9-12,18H,4,8,13H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-(5-phenyl-3-propylcyclohexa-1,3-dien-1-yl)-1,2-oxazole?
3,5-dimethyl-4-(5-phenyl-3-propylcyclohexa-1,3-dien-1-yl)-1,2-oxazole has a molecular weight of 293.41 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(5-phenyl-3-propylcyclohexa-1,3-dien-1-yl)-1,2-oxazole is sourced from PubChem (CID 175809655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).