4-[2-[ethyl(1,3-oxazol-2-ylmethyl)amino]ethyl]benzoic acid

C15H18N2O3 — CID 167283900

IUPAC4-[2-[ethyl(1,3-oxazol-2-ylmethyl)amino]ethyl]benzoic acid
SMILESCCN(CCc1ccc(C(=O)O)cc1)Cc1ncco1
InChIInChI=1S/C15H18N2O3/c1-2-17(11-14-16-8-10-20-14)9-7-12-3-5-13(6-4-12)15(18)19/h3-6,8,10H,2,7,9,11H2,1H3,(H,18,19)
InChIKeyHMFXYZHGFYWNPP-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.44
Rot. Bonds7

About 4-[2-[ethyl(1,3-oxazol-2-ylmethyl)amino]ethyl]benzoic acid

4-[2-[ethyl(1,3-oxazol-2-ylmethyl)amino]ethyl]benzoic acid (PubChem CID 167283900) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[2-[ethyl(1,3-oxazol-2-ylmethyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[ethyl(1,3-oxazol-2-ylmethyl)amino]ethyl]benzoic acid
PubChem CID167283900
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-[2-[ethyl(1,3-oxazol-2-ylmethyl)amino]ethyl]benzoic acid
SMILESCCN(CCc1ccc(C(=O)O)cc1)Cc1ncco1
InChIInChI=1S/C15H18N2O3/c1-2-17(11-14-16-8-10-20-14)9-7-12-3-5-13(6-4-12)15(18)19/h3-6,8,10H,2,7,9,11H2,1H3,(H,18,19)
InChIKeyHMFXYZHGFYWNPP-UHFFFAOYSA-N
XLogP2.44
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[ethyl(3-methylbutyl)amino]ethyl]benzoic acid
CID 167283540
4-[2-[ethyl(3,3,3-trifluoropropyl)amino]ethyl]benzoic acid
CID 166460992
3-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]benzoic acid
CID 82183854
ethane;4-propylbenzoic acid
CID 91047964
4-[2-[butan-2-yl(ethyl)amino]ethyl]benzoic acid
CID 167283550
benzoic acid;N-benzyl-N-ethylethanamine
CID 86113086
4-[2-[benzyl(ethyl)amino]ethyl]phenol
CID 82187934
4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoic acid
CID 167283539
4-[(dipropylamino)methyl]benzoic acid;hydrochloride
CID 75531543
4-[[methyl(propyl)amino]methyl]benzoic acid
CID 39241525
4-[[ethyl(pentan-3-yl)amino]methyl]benzoic acid
CID 122034478
4-[(dipropylamino)methoxy]benzoic acid
CID 20993709

Frequently Asked Questions

What is the IUPAC name of 4-[2-[ethyl(1,3-oxazol-2-ylmethyl)amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[ethyl(1,3-oxazol-2-ylmethyl)amino]ethyl]benzoic acid (CID 167283900) is 4-[2-[ethyl(1,3-oxazol-2-ylmethyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[ethyl(1,3-oxazol-2-ylmethyl)amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[ethyl(1,3-oxazol-2-ylmethyl)amino]ethyl]benzoic acid is CCN(CCc1ccc(C(=O)O)cc1)Cc1ncco1.
What is the InChIKey of 4-[2-[ethyl(1,3-oxazol-2-ylmethyl)amino]ethyl]benzoic acid?
The InChIKey is HMFXYZHGFYWNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-17(11-14-16-8-10-20-14)9-7-12-3-5-13(6-4-12)15(18)19/h3-6,8,10H,2,7,9,11H2,1H3,(H,18,19).
What are the key properties of 4-[2-[ethyl(1,3-oxazol-2-ylmethyl)amino]ethyl]benzoic acid?
4-[2-[ethyl(1,3-oxazol-2-ylmethyl)amino]ethyl]benzoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethyl(1,3-oxazol-2-ylmethyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 167283900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).