2-[1-(4-cyclopropyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]benzoic acid

C19H20N2O4 — CID 154843869

IUPAC2-[1-(4-cyclopropyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]benzoic acid
SMILESO=C(O)c1ccccc1C1CCN(C(=O)c2ocnc2C2CC2)CC1
InChIInChI=1S/C19H20N2O4/c22-18(17-16(13-5-6-13)20-11-25-17)21-9-7-12(8-10-21)14-3-1-2-4-15(14)19(23)24/h1-4,11-13H,5-10H2,(H,23,24)
InChIKeyMHQNLKMARREENR-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.27
Rot. Bonds4

About 2-[1-(4-cyclopropyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]benzoic acid

2-[1-(4-cyclopropyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]benzoic acid (PubChem CID 154843869) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[1-(4-cyclopropyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]benzoic acid.

Molecular Properties

Compound Name2-[1-(4-cyclopropyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]benzoic acid
PubChem CID154843869
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-[1-(4-cyclopropyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]benzoic acid
SMILESO=C(O)c1ccccc1C1CCN(C(=O)c2ocnc2C2CC2)CC1
InChIInChI=1S/C19H20N2O4/c22-18(17-16(13-5-6-13)20-11-25-17)21-9-7-12(8-10-21)14-3-1-2-4-15(14)19(23)24/h1-4,11-13H,5-10H2,(H,23,24)
InChIKeyMHQNLKMARREENR-UHFFFAOYSA-N
XLogP3.27
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyclopropyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]benzoic acid?
The IUPAC name of 2-[1-(4-cyclopropyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]benzoic acid (CID 154843869) is 2-[1-(4-cyclopropyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]benzoic acid.
What is the SMILES notation for 2-[1-(4-cyclopropyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]benzoic acid?
The canonical SMILES for 2-[1-(4-cyclopropyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]benzoic acid is O=C(O)c1ccccc1C1CCN(C(=O)c2ocnc2C2CC2)CC1.
What is the InChIKey of 2-[1-(4-cyclopropyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]benzoic acid?
The InChIKey is MHQNLKMARREENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(17-16(13-5-6-13)20-11-25-17)21-9-7-12(8-10-21)14-3-1-2-4-15(14)19(23)24/h1-4,11-13H,5-10H2,(H,23,24).
What are the key properties of 2-[1-(4-cyclopropyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]benzoic acid?
2-[1-(4-cyclopropyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]benzoic acid has a molecular weight of 340.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyclopropyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]benzoic acid is sourced from PubChem (CID 154843869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).