5-[2-(diethylamino)phenyl]-1,2-oxazole-3-carboxylic acid

C14H16N2O3 — CID 117404780

IUPAC5-[2-(diethylamino)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESCCN(CC)c1ccccc1-c1cc(C(=O)O)no1
InChIInChI=1S/C14H16N2O3/c1-3-16(4-2)12-8-6-5-7-10(12)13-9-11(14(17)18)15-19-13/h5-9H,3-4H2,1-2H3,(H,17,18)
InChIKeyAWKFZOULDAXDDQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.89
Rot. Bonds5

About 5-[2-(diethylamino)phenyl]-1,2-oxazole-3-carboxylic acid

5-[2-(diethylamino)phenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 117404780) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-[2-(diethylamino)phenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(diethylamino)phenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID117404780
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-[2-(diethylamino)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESCCN(CC)c1ccccc1-c1cc(C(=O)O)no1
InChIInChI=1S/C14H16N2O3/c1-3-16(4-2)12-8-6-5-7-10(12)13-9-11(14(17)18)15-19-13/h5-9H,3-4H2,1-2H3,(H,17,18)
InChIKeyAWKFZOULDAXDDQ-UHFFFAOYSA-N
XLogP2.89
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117337528
5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117315177
5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117341655
5-[2-(dimethylamino)-4-fluorophenyl]-1,2-oxazole-3-carboxylic acid
CID 115111231
5-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 19620906
5-[6-(methylamino)-7-oxocyclohepta-1,3,5-trien-1-yl]-1,2-oxazole-3-carboxylic acid
CID 10752923
2-[2-(diethylamino)phenyl]-N,N-diethylaniline
CID 158417392
5-(1-ethylindol-3-yl)-1,2-oxazole-3-carboxylic acid
CID 15958515
5-(1-methoxynaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 176969039
5-[2-(1-methylazetidin-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117399099
5-(3-methyl-1,2-benzoxazol-7-yl)-1,2-oxazole-3-carboxylic acid
CID 117361908
[2-[2-(diethylamino)phenyl]phenyl]-phenylmethanone
CID 150978670

Frequently Asked Questions

What is the IUPAC name of 5-[2-(diethylamino)phenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[2-(diethylamino)phenyl]-1,2-oxazole-3-carboxylic acid (CID 117404780) is 5-[2-(diethylamino)phenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-(diethylamino)phenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[2-(diethylamino)phenyl]-1,2-oxazole-3-carboxylic acid is CCN(CC)c1ccccc1-c1cc(C(=O)O)no1.
What is the InChIKey of 5-[2-(diethylamino)phenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is AWKFZOULDAXDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-16(4-2)12-8-6-5-7-10(12)13-9-11(14(17)18)15-19-13/h5-9H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 5-[2-(diethylamino)phenyl]-1,2-oxazole-3-carboxylic acid?
5-[2-(diethylamino)phenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)phenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117404780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).