1-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxylic acid

C19H20N2O4 — CID 75384526

IUPAC1-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)CC1
InChIInChI=1S/C19H20N2O4/c22-18(21-10-8-14(9-11-21)19(23)24)15-16(12-6-7-12)25-17(20-15)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,23,24)
InChIKeyNQGYSNOSKXBFNT-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.16
Rot. Bonds4

About 1-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxylic acid

1-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 75384526) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID75384526
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)CC1
InChIInChI=1S/C19H20N2O4/c22-18(21-10-8-14(9-11-21)19(23)24)15-16(12-6-7-12)25-17(20-15)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,23,24)
InChIKeyNQGYSNOSKXBFNT-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxylic acid (CID 75384526) is 1-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)CC1.
What is the InChIKey of 1-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is NQGYSNOSKXBFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(21-10-8-14(9-11-21)19(23)24)15-16(12-6-7-12)25-17(20-15)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,23,24).
What are the key properties of 1-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxylic acid?
1-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 75384526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).