5,6,7,8-tetrahydronaphthalen-1-yl 2-phenyl-1,3-oxazole-4-carboxylate

C20H17NO3 — CID 71460145

IUPAC5,6,7,8-tetrahydronaphthalen-1-yl 2-phenyl-1,3-oxazole-4-carboxylate
SMILESO=C(Oc1cccc2c1CCCC2)c1coc(-c2ccccc2)n1
InChIInChI=1S/C20H17NO3/c22-20(17-13-23-19(21-17)15-8-2-1-3-9-15)24-18-12-6-10-14-7-4-5-11-16(14)18/h1-3,6,8-10,12-13H,4-5,7,11H2
InChIKeyZHJFANJBAZTZTG-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.44
Rot. Bonds3

About 5,6,7,8-tetrahydronaphthalen-1-yl 2-phenyl-1,3-oxazole-4-carboxylate

5,6,7,8-tetrahydronaphthalen-1-yl 2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 71460145) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5,6,7,8-tetrahydronaphthalen-1-yl 2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name5,6,7,8-tetrahydronaphthalen-1-yl 2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID71460145
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name5,6,7,8-tetrahydronaphthalen-1-yl 2-phenyl-1,3-oxazole-4-carboxylate
SMILESO=C(Oc1cccc2c1CCCC2)c1coc(-c2ccccc2)n1
InChIInChI=1S/C20H17NO3/c22-20(17-13-23-19(21-17)15-8-2-1-3-9-15)24-18-12-6-10-14-7-4-5-11-16(14)18/h1-3,6,8-10,12-13H,4-5,7,11H2
InChIKeyZHJFANJBAZTZTG-UHFFFAOYSA-N
XLogP4.44
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4-(4-Tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)oxazole
CID 138394724
Ave-8134
CID 11625114
(2R)-2-[4-[[4-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]phenoxy]propanoic acid
CID 137640612
(2S)-2-[4-[[4-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]phenoxy]propanoic acid
CID 137653711
Benzyl 2-phenyloxazole-4-carboxylate
CID 46866387
Ethyl 2-(4-Biphenylyl)-5-methyloxazole-4-carboxylate
CID 148703543
Ethyl 2-phenyl-1,3-oxazole-4-carboxylate
CID 571056
3-[2-Ethyl-4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]propanoic acid
CID 54769319
Methyl 7-(2-(2-(3-methoxyphenyl)-5-methyloxazol-4-yl)ethoxy)-2-oxo-2H-chromene-3-carboxylate
CID 25149124
Sodium 2-[[5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetate
CID 44399245
sodium 2-[[(5R)-5-[(4,5-diphenyl-1,3-oxazol-2-yl)methoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetate
CID 44399250
Benzyl 2-(3-fluorophenyl)oxazole-4-carboxylate
CID 46201705

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydronaphthalen-1-yl 2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of 5,6,7,8-tetrahydronaphthalen-1-yl 2-phenyl-1,3-oxazole-4-carboxylate (CID 71460145) is 5,6,7,8-tetrahydronaphthalen-1-yl 2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for 5,6,7,8-tetrahydronaphthalen-1-yl 2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for 5,6,7,8-tetrahydronaphthalen-1-yl 2-phenyl-1,3-oxazole-4-carboxylate is O=C(Oc1cccc2c1CCCC2)c1coc(-c2ccccc2)n1.
What is the InChIKey of 5,6,7,8-tetrahydronaphthalen-1-yl 2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is ZHJFANJBAZTZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c22-20(17-13-23-19(21-17)15-8-2-1-3-9-15)24-18-12-6-10-14-7-4-5-11-16(14)18/h1-3,6,8-10,12-13H,4-5,7,11H2.
What are the key properties of 5,6,7,8-tetrahydronaphthalen-1-yl 2-phenyl-1,3-oxazole-4-carboxylate?
5,6,7,8-tetrahydronaphthalen-1-yl 2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydronaphthalen-1-yl 2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 71460145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).