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

C13H15NO3 — CID 115061719

IUPAC2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
SMILESCc1ccccc1CC1CN=C(CC(=O)O)O1
InChIInChI=1S/C13H15NO3/c1-9-4-2-3-5-10(9)6-11-8-14-12(17-11)7-13(15)16/h2-5,11H,6-8H2,1H3,(H,15,16)
InChIKeyIVCMBAQAVPEZHO-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.81
Rot. Bonds4

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

2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]acetic acid (PubChem CID 115061719) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
PubChem CID115061719
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
SMILESCc1ccccc1CC1CN=C(CC(=O)O)O1
InChIInChI=1S/C13H15NO3/c1-9-4-2-3-5-10(9)6-11-8-14-12(17-11)7-13(15)16/h2-5,11H,6-8H2,1H3,(H,15,16)
InChIKeyIVCMBAQAVPEZHO-UHFFFAOYSA-N
XLogP1.81
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]propanoic acid
CID 115060897
3-[5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid
CID 115061763
2-(2-methylphenyl)acetic acid
CID 67440217
dichloromethane;2-(2-methylphenyl)acetic acid
CID 174962889
2-(5-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid
CID 84654082
2-[5-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 115061603
2-[2-(1,3-dioxolan-2-yl)phenyl]acetic acid
CID 10262496
ethane;(5R)-3-methyl-5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 143798288
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
2-[cyclopentyl-[2-(2-methylphenyl)acetyl]amino]acetic acid
CID 60827106
1-cyclopropyl-2-(2-methylphenyl)ethanone
CID 39236490
2-[3-(dimethylamino)-2-methylphenyl]acetic acid
CID 155670062

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]acetic acid (CID 115061719) is 2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]acetic acid is Cc1ccccc1CC1CN=C(CC(=O)O)O1.
What is the InChIKey of 2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]acetic acid?
The InChIKey is IVCMBAQAVPEZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9-4-2-3-5-10(9)6-11-8-14-12(17-11)7-13(15)16/h2-5,11H,6-8H2,1H3,(H,15,16).
What are the key properties of 2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]acetic acid?
2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]acetic acid has a molecular weight of 233.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]acetic acid is sourced from PubChem (CID 115061719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).