5-methyl-2-phenyl-4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,3-oxazole

C22H23NO2 — CID 18003621

IUPAC5-methyl-2-phenyl-4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CCOc1cccc2c1CCCC2
InChIInChI=1S/C22H23NO2/c1-16-20(23-22(25-16)18-9-3-2-4-10-18)14-15-24-21-13-7-11-17-8-5-6-12-19(17)21/h2-4,7,9-11,13H,5-6,8,12,14-15H2,1H3
InChIKeyNNJNHCMIHWEFLW-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.15
Rot. Bonds5

About 5-methyl-2-phenyl-4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,3-oxazole

5-methyl-2-phenyl-4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,3-oxazole (PubChem CID 18003621) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 5-methyl-2-phenyl-4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-phenyl-4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,3-oxazole
PubChem CID18003621
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name5-methyl-2-phenyl-4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CCOc1cccc2c1CCCC2
InChIInChI=1S/C22H23NO2/c1-16-20(23-22(25-16)18-9-3-2-4-10-18)14-15-24-21-13-7-11-17-8-5-6-12-19(17)21/h2-4,7,9-11,13H,5-6,8,12,14-15H2,1H3
InChIKeyNNJNHCMIHWEFLW-UHFFFAOYSA-N
XLogP5.15
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydronaphthalen-1-yl]acetic acid
CID 10110882
5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole
CID 20723570
2-ethoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid
CID 18003605
4-(2-cyclopenta[b]thiopyran-4-yloxyethyl)-5-methyl-2-phenyl-1,3-oxazole
CID 141010481
4-[2-[4-(chloromethyl)phenoxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 11809594
5-methyl-4-(2-naphthalen-1-yloxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 151600448
5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole
CID 23402836
4-[2-(3,4-dihydro-2H-chromen-2-yloxy)ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 91578834
ethyl 3-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-quinolin-1-yl]propanoate
CID 10275818
ethyl 5-[5-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-quinolin-1-yl]pentanoate
CID 10299269
5-methyl-2-phenyl-4-[2-[3-[(3R)-pyrrolidin-3-yl]phenoxy]ethyl]-1,3-oxazole
CID 142849494
3-(cyclohexylmethyl)-4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenol
CID 22633494

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-phenyl-4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,3-oxazole (CID 18003621) is 5-methyl-2-phenyl-4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-phenyl-4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-phenyl-4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,3-oxazole is Cc1oc(-c2ccccc2)nc1CCOc1cccc2c1CCCC2.
What is the InChIKey of 5-methyl-2-phenyl-4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,3-oxazole?
The InChIKey is NNJNHCMIHWEFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-16-20(23-22(25-16)18-9-3-2-4-10-18)14-15-24-21-13-7-11-17-8-5-6-12-19(17)21/h2-4,7,9-11,13H,5-6,8,12,14-15H2,1H3.
What are the key properties of 5-methyl-2-phenyl-4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,3-oxazole?
5-methyl-2-phenyl-4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,3-oxazole has a molecular weight of 333.43 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,3-oxazole is sourced from PubChem (CID 18003621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).