1-[[5-(2-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]carbamoyl]piperidine-4-carboxylic acid

C17H18FN3O4 — CID 122092099

IUPAC1-[[5-(2-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]carbamoyl]piperidine-4-carboxylic acid
SMILESCc1c(NC(=O)N2CCC(C(=O)O)CC2)noc1-c1ccccc1F
InChIInChI=1S/C17H18FN3O4/c1-10-14(12-4-2-3-5-13(12)18)25-20-15(10)19-17(24)21-8-6-11(7-9-21)16(22)23/h2-5,11H,6-9H2,1H3,(H,22,23)(H,19,20,24)
InChIKeyFHOOBZQXAMUCIX-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.12
Rot. Bonds3

About 1-[[5-(2-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]carbamoyl]piperidine-4-carboxylic acid

1-[[5-(2-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122092099) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is 1-[[5-(2-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(2-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122092099
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Name1-[[5-(2-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]carbamoyl]piperidine-4-carboxylic acid
SMILESCc1c(NC(=O)N2CCC(C(=O)O)CC2)noc1-c1ccccc1F
InChIInChI=1S/C17H18FN3O4/c1-10-14(12-4-2-3-5-13(12)18)25-20-15(10)19-17(24)21-8-6-11(7-9-21)16(22)23/h2-5,11H,6-9H2,1H3,(H,22,23)(H,19,20,24)
InChIKeyFHOOBZQXAMUCIX-UHFFFAOYSA-N
XLogP3.12
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[5-(2-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]carbamoyl]piperidine-4-carboxylic acid (CID 122092099) is 1-[[5-(2-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[5-(2-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[5-(2-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]carbamoyl]piperidine-4-carboxylic acid is Cc1c(NC(=O)N2CCC(C(=O)O)CC2)noc1-c1ccccc1F.
What is the InChIKey of 1-[[5-(2-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is FHOOBZQXAMUCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-10-14(12-4-2-3-5-13(12)18)25-20-15(10)19-17(24)21-8-6-11(7-9-21)16(22)23/h2-5,11H,6-9H2,1H3,(H,22,23)(H,19,20,24).
What are the key properties of 1-[[5-(2-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]carbamoyl]piperidine-4-carboxylic acid?
1-[[5-(2-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 347.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122092099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).