2-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid

C23H23NO4 — CID 45380942

IUPAC2-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid
SMILESCc1onc(-c2ccccc2)c1COc1ccc2c(c1)CCC(CC(=O)O)C2
InChIInChI=1S/C23H23NO4/c1-15-21(23(24-28-15)17-5-3-2-4-6-17)14-27-20-10-9-18-11-16(12-22(25)26)7-8-19(18)13-20/h2-6,9-10,13,16H,7-8,11-12,14H2,1H3,(H,25,26)
InChIKeyRITYXPZSHCCEAS-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.81
Rot. Bonds6

About 2-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid

2-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid (PubChem CID 45380942) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid
PubChem CID45380942
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name2-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid
SMILESCc1onc(-c2ccccc2)c1COc1ccc2c(c1)CCC(CC(=O)O)C2
InChIInChI=1S/C23H23NO4/c1-15-21(23(24-28-15)17-5-3-2-4-6-17)14-27-20-10-9-18-11-16(12-22(25)26)7-8-19(18)13-20/h2-6,9-10,13,16H,7-8,11-12,14H2,1H3,(H,25,26)
InChIKeyRITYXPZSHCCEAS-UHFFFAOYSA-N
XLogP4.81
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid with MolForge

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yloxymethyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 19623168
1-O-methyl 2-O-(2-methylpropyl) 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate
CID 68503071
methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate
CID 67492296
N-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 18361491
hydroxy-dimethyl-[2-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]azanium
CID 91416199
3-cyanopropyl 4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 155552111
4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole
CID 68883684
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
CID 18074313
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 131876575
2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid
CID 18462638
ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
CID 42630254
6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 52952267

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid?
The IUPAC name of 2-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid (CID 45380942) is 2-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid is Cc1onc(-c2ccccc2)c1COc1ccc2c(c1)CCC(CC(=O)O)C2.
What is the InChIKey of 2-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid?
The InChIKey is RITYXPZSHCCEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-15-21(23(24-28-15)17-5-3-2-4-6-17)14-27-20-10-9-18-11-16(12-22(25)26)7-8-19(18)13-20/h2-6,9-10,13,16H,7-8,11-12,14H2,1H3,(H,25,26).
What are the key properties of 2-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid?
2-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid has a molecular weight of 377.44 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid is sourced from PubChem (CID 45380942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).