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

C19H23NO3 — CID 10543210

IUPAC5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
SMILESCc1cc2c(cc1-c1cc(C(=O)O)no1)C(C)(C)CCC2(C)C
InChIInChI=1S/C19H23NO3/c1-11-8-13-14(19(4,5)7-6-18(13,2)3)9-12(11)16-10-15(17(21)22)20-23-16/h8-10H,6-7H2,1-5H3,(H,21,22)
InChIKeySOHWQOITYAGDRG-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.70
Rot. Bonds2

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

5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 10543210) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID10543210
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
SMILESCc1cc2c(cc1-c1cc(C(=O)O)no1)C(C)(C)CCC2(C)C
InChIInChI=1S/C19H23NO3/c1-11-8-13-14(19(4,5)7-6-18(13,2)3)9-12(11)16-10-15(17(21)22)20-23-16/h8-10H,6-7H2,1-5H3,(H,21,22)
InChIKeySOHWQOITYAGDRG-UHFFFAOYSA-N
XLogP4.70
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid (CID 10543210) is 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid is Cc1cc2c(cc1-c1cc(C(=O)O)no1)C(C)(C)CCC2(C)C.
What is the InChIKey of 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is SOHWQOITYAGDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-11-8-13-14(19(4,5)7-6-18(13,2)3)9-12(11)16-10-15(17(21)22)20-23-16/h8-10H,6-7H2,1-5H3,(H,21,22).
What are the key properties of 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid?
5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 313.40 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 10543210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).