2-[4-methyl-2-[2-(4-methylphenyl)ethyl]-1,3-oxazol-5-yl]acetic acid

C15H17NO3 — CID 82301015

IUPAC2-[4-methyl-2-[2-(4-methylphenyl)ethyl]-1,3-oxazol-5-yl]acetic acid
SMILESCc1ccc(CCc2nc(C)c(CC(=O)O)o2)cc1
InChIInChI=1S/C15H17NO3/c1-10-3-5-12(6-4-10)7-8-14-16-11(2)13(19-14)9-15(17)18/h3-6H,7-9H2,1-2H3,(H,17,18)
InChIKeyLDVVYHSDPNUZGW-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.70
Rot. Bonds5

About 2-[4-methyl-2-[2-(4-methylphenyl)ethyl]-1,3-oxazol-5-yl]acetic acid

2-[4-methyl-2-[2-(4-methylphenyl)ethyl]-1,3-oxazol-5-yl]acetic acid (PubChem CID 82301015) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[4-methyl-2-[2-(4-methylphenyl)ethyl]-1,3-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-2-[2-(4-methylphenyl)ethyl]-1,3-oxazol-5-yl]acetic acid
PubChem CID82301015
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-[4-methyl-2-[2-(4-methylphenyl)ethyl]-1,3-oxazol-5-yl]acetic acid
SMILESCc1ccc(CCc2nc(C)c(CC(=O)O)o2)cc1
InChIInChI=1S/C15H17NO3/c1-10-3-5-12(6-4-10)7-8-14-16-11(2)13(19-14)9-15(17)18/h3-6H,7-9H2,1-2H3,(H,17,18)
InChIKeyLDVVYHSDPNUZGW-UHFFFAOYSA-N
XLogP2.70
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methylphenyl)ethyl]-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373559
lithium;carbanide;2-(4-methylphenyl)acetic acid
CID 161212911
2-[4-methyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]acetic acid
CID 82128606
2-[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-5-yl]acetic acid
CID 82488298
2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]acetic acid
CID 115084165
2-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)acetic acid
CID 82125302
2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)acetyl chloride
CID 88841488
5-chloro-2-[2-(4-methylphenyl)ethyl]-1,3-benzoxazol-6-amine
CID 115539870
2-[4-methyl-2-(4-methyloxan-4-yl)-1,3-oxazol-5-yl]acetic acid
CID 115043031
2-[2,5-dimethyl-3-(4-methylphenyl)imidazol-4-yl]acetic acid
CID 82294296
butane;ethane;3-(4-methylphenyl)propanoic acid
CID 143489809
10-(4-methylphenyl)decanoic acid
CID 54262490

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-[2-(4-methylphenyl)ethyl]-1,3-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[4-methyl-2-[2-(4-methylphenyl)ethyl]-1,3-oxazol-5-yl]acetic acid (CID 82301015) is 2-[4-methyl-2-[2-(4-methylphenyl)ethyl]-1,3-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-2-[2-(4-methylphenyl)ethyl]-1,3-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-2-[2-(4-methylphenyl)ethyl]-1,3-oxazol-5-yl]acetic acid is Cc1ccc(CCc2nc(C)c(CC(=O)O)o2)cc1.
What is the InChIKey of 2-[4-methyl-2-[2-(4-methylphenyl)ethyl]-1,3-oxazol-5-yl]acetic acid?
The InChIKey is LDVVYHSDPNUZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-3-5-12(6-4-10)7-8-14-16-11(2)13(19-14)9-15(17)18/h3-6H,7-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-methyl-2-[2-(4-methylphenyl)ethyl]-1,3-oxazol-5-yl]acetic acid?
2-[4-methyl-2-[2-(4-methylphenyl)ethyl]-1,3-oxazol-5-yl]acetic acid has a molecular weight of 259.31 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-[2-(4-methylphenyl)ethyl]-1,3-oxazol-5-yl]acetic acid is sourced from PubChem (CID 82301015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).