5-[2-(3-ethyl-3,5,5,8-tetramethyl-2,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]-1,2-oxazole

C22H31NO — CID 70459661

IUPAC5-[2-(3-ethyl-3,5,5,8-tetramethyl-2,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]-1,2-oxazole
SMILESCCC1(C)C=C2C(=CC1C(C)=Cc1ccno1)C(C)CCC2(C)C
InChIInChI=1S/C22H31NO/c1-7-22(6)14-20-18(15(2)8-10-21(20,4)5)13-19(22)16(3)12-17-9-11-23-24-17/h9,11-15,19H,7-8,10H2,1-6H3
InChIKeyZTPYIAWSAVMBCK-UHFFFAOYSA-N
MW325.50 g/mol
LogP6.43
Rot. Bonds3

About 5-[2-(3-ethyl-3,5,5,8-tetramethyl-2,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]-1,2-oxazole

5-[2-(3-ethyl-3,5,5,8-tetramethyl-2,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]-1,2-oxazole (PubChem CID 70459661) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is 5-[2-(3-ethyl-3,5,5,8-tetramethyl-2,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[2-(3-ethyl-3,5,5,8-tetramethyl-2,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]-1,2-oxazole
PubChem CID70459661
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name5-[2-(3-ethyl-3,5,5,8-tetramethyl-2,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]-1,2-oxazole
SMILESCCC1(C)C=C2C(=CC1C(C)=Cc1ccno1)C(C)CCC2(C)C
InChIInChI=1S/C22H31NO/c1-7-22(6)14-20-18(15(2)8-10-21(20,4)5)13-19(22)16(3)12-17-9-11-23-24-17/h9,11-15,19H,7-8,10H2,1-6H3
InChIKeyZTPYIAWSAVMBCK-UHFFFAOYSA-N
XLogP6.43
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[2-(3-ethyl-3,5,5,8-tetramethyl-2,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-ethyl-3,5,5,8-tetramethyl-2,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]-1,2-oxazole?
The IUPAC name of 5-[2-(3-ethyl-3,5,5,8-tetramethyl-2,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]-1,2-oxazole (CID 70459661) is 5-[2-(3-ethyl-3,5,5,8-tetramethyl-2,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]-1,2-oxazole.
What is the SMILES notation for 5-[2-(3-ethyl-3,5,5,8-tetramethyl-2,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]-1,2-oxazole?
The canonical SMILES for 5-[2-(3-ethyl-3,5,5,8-tetramethyl-2,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]-1,2-oxazole is CCC1(C)C=C2C(=CC1C(C)=Cc1ccno1)C(C)CCC2(C)C.
What is the InChIKey of 5-[2-(3-ethyl-3,5,5,8-tetramethyl-2,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]-1,2-oxazole?
The InChIKey is ZTPYIAWSAVMBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c1-7-22(6)14-20-18(15(2)8-10-21(20,4)5)13-19(22)16(3)12-17-9-11-23-24-17/h9,11-15,19H,7-8,10H2,1-6H3.
What are the key properties of 5-[2-(3-ethyl-3,5,5,8-tetramethyl-2,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]-1,2-oxazole?
5-[2-(3-ethyl-3,5,5,8-tetramethyl-2,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]-1,2-oxazole has a molecular weight of 325.50 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-ethyl-3,5,5,8-tetramethyl-2,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]-1,2-oxazole is sourced from PubChem (CID 70459661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).