4-[[(5-cyclopropyl-1,2-oxazol-4-yl)amino]methyl]benzoic acid

C14H14N2O3 — CID 122035283

IUPAC4-[[(5-cyclopropyl-1,2-oxazol-4-yl)amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNc2cnoc2C2CC2)cc1
InChIInChI=1S/C14H14N2O3/c17-14(18)11-3-1-9(2-4-11)7-15-12-8-16-19-13(12)10-5-6-10/h1-4,8,10,15H,5-7H2,(H,17,18)
InChIKeyQZCCWMUIBKXKDE-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.86
Rot. Bonds5

About 4-[[(5-cyclopropyl-1,2-oxazol-4-yl)amino]methyl]benzoic acid

4-[[(5-cyclopropyl-1,2-oxazol-4-yl)amino]methyl]benzoic acid (PubChem CID 122035283) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-[[(5-cyclopropyl-1,2-oxazol-4-yl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(5-cyclopropyl-1,2-oxazol-4-yl)amino]methyl]benzoic acid
PubChem CID122035283
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name4-[[(5-cyclopropyl-1,2-oxazol-4-yl)amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNc2cnoc2C2CC2)cc1
InChIInChI=1S/C14H14N2O3/c17-14(18)11-3-1-9(2-4-11)7-15-12-8-16-19-13(12)10-5-6-10/h1-4,8,10,15H,5-7H2,(H,17,18)
InChIKeyQZCCWMUIBKXKDE-UHFFFAOYSA-N
XLogP2.86
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5-cyclopropyl-1,2-oxazol-4-yl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(5-cyclopropyl-1,2-oxazol-4-yl)amino]methyl]benzoic acid (CID 122035283) is 4-[[(5-cyclopropyl-1,2-oxazol-4-yl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(5-cyclopropyl-1,2-oxazol-4-yl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(5-cyclopropyl-1,2-oxazol-4-yl)amino]methyl]benzoic acid is O=C(O)c1ccc(CNc2cnoc2C2CC2)cc1.
What is the InChIKey of 4-[[(5-cyclopropyl-1,2-oxazol-4-yl)amino]methyl]benzoic acid?
The InChIKey is QZCCWMUIBKXKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-14(18)11-3-1-9(2-4-11)7-15-12-8-16-19-13(12)10-5-6-10/h1-4,8,10,15H,5-7H2,(H,17,18).
What are the key properties of 4-[[(5-cyclopropyl-1,2-oxazol-4-yl)amino]methyl]benzoic acid?
4-[[(5-cyclopropyl-1,2-oxazol-4-yl)amino]methyl]benzoic acid has a molecular weight of 258.28 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-cyclopropyl-1,2-oxazol-4-yl)amino]methyl]benzoic acid is sourced from PubChem (CID 122035283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).