5-(3,5,5,7,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid

C20H25NO3 — CID 10687664

IUPAC5-(3,5,5,7,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
SMILESCc1cc2c(cc1-c1cc(C(=O)O)no1)C(C)(C)C(C)CC2(C)C
InChIInChI=1S/C20H25NO3/c1-11-7-14-15(20(5,6)12(2)10-19(14,3)4)8-13(11)17-9-16(18(22)23)21-24-17/h7-9,12H,10H2,1-6H3,(H,22,23)
InChIKeyUWSDSQVGPVPJRF-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.94
Rot. Bonds2

About 5-(3,5,5,7,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid

5-(3,5,5,7,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 10687664) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 5-(3,5,5,7,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3,5,5,7,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID10687664
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name5-(3,5,5,7,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
SMILESCc1cc2c(cc1-c1cc(C(=O)O)no1)C(C)(C)C(C)CC2(C)C
InChIInChI=1S/C20H25NO3/c1-11-7-14-15(20(5,6)12(2)10-19(14,3)4)8-13(11)17-9-16(18(22)23)21-24-17/h7-9,12H,10H2,1-6H3,(H,22,23)
InChIKeyUWSDSQVGPVPJRF-UHFFFAOYSA-N
XLogP4.94
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5,5,7,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3,5,5,7,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid (CID 10687664) is 5-(3,5,5,7,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3,5,5,7,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3,5,5,7,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid is Cc1cc2c(cc1-c1cc(C(=O)O)no1)C(C)(C)C(C)CC2(C)C.
What is the InChIKey of 5-(3,5,5,7,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is UWSDSQVGPVPJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-11-7-14-15(20(5,6)12(2)10-19(14,3)4)8-13(11)17-9-16(18(22)23)21-24-17/h7-9,12H,10H2,1-6H3,(H,22,23).
What are the key properties of 5-(3,5,5,7,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid?
5-(3,5,5,7,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 327.42 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5,5,7,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 10687664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).