2-[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-5-yl]acetic acid

C16H17NO3 — CID 82488298

IUPAC2-[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-5-yl]acetic acid
SMILESCc1nc(-c2ccc3c(c2)CCCC3)oc1CC(=O)O
InChIInChI=1S/C16H17NO3/c1-10-14(9-15(18)19)20-16(17-10)13-7-6-11-4-2-3-5-12(11)8-13/h6-8H,2-5,9H2,1H3,(H,18,19)
InChIKeyYCAQSCLIRHMROE-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.16
Rot. Bonds3

About 2-[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-5-yl]acetic acid

2-[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-5-yl]acetic acid (PubChem CID 82488298) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-5-yl]acetic acid
PubChem CID82488298
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-5-yl]acetic acid
SMILESCc1nc(-c2ccc3c(c2)CCCC3)oc1CC(=O)O
InChIInChI=1S/C16H17NO3/c1-10-14(9-15(18)19)20-16(17-10)13-7-6-11-4-2-3-5-12(11)8-13/h6-8H,2-5,9H2,1H3,(H,18,19)
InChIKeyYCAQSCLIRHMROE-UHFFFAOYSA-N
XLogP3.16
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]acetic acid
CID 82128606
2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-5-yl]acetic acid
CID 116852061
2-[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]acetic acid
CID 82488178
5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 55184374
2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062351
2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid
CID 62234498
2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid
CID 82305966
2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]acetic acid
CID 82305106
2-phenyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 4094091
2-[4-methyl-2-[2-(4-methylphenyl)ethyl]-1,3-oxazol-5-yl]acetic acid
CID 82301015
1-[2-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]ethanone
CID 91231788
N-cyclohexyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110647492

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-5-yl]acetic acid (CID 82488298) is 2-[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-5-yl]acetic acid is Cc1nc(-c2ccc3c(c2)CCCC3)oc1CC(=O)O.
What is the InChIKey of 2-[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-5-yl]acetic acid?
The InChIKey is YCAQSCLIRHMROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-10-14(9-15(18)19)20-16(17-10)13-7-6-11-4-2-3-5-12(11)8-13/h6-8H,2-5,9H2,1H3,(H,18,19).
What are the key properties of 2-[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-5-yl]acetic acid?
2-[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-5-yl]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-5-yl]acetic acid is sourced from PubChem (CID 82488298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).