4-[4-[4-carbamoyl-2-(pyridin-3-ylamino)-1,3-oxazol-5-yl]phenyl]piperazine-1-carboxylic acid

C20H20N6O4 — CID 68633718

IUPAC4-[4-[4-carbamoyl-2-(pyridin-3-ylamino)-1,3-oxazol-5-yl]phenyl]piperazine-1-carboxylic acid
SMILESNC(=O)c1nc(Nc2cccnc2)oc1-c1ccc(N2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C20H20N6O4/c21-18(27)16-17(30-19(24-16)23-14-2-1-7-22-12-14)13-3-5-15(6-4-13)25-8-10-26(11-9-25)20(28)29/h1-7,12H,8-11H2,(H2,21,27)(H,23,24)(H,28,29)
InChIKeyREZFOPHIXQVYJG-UHFFFAOYSA-N
MW408.42 g/mol
LogP2.38
Rot. Bonds5

About 4-[4-[4-carbamoyl-2-(pyridin-3-ylamino)-1,3-oxazol-5-yl]phenyl]piperazine-1-carboxylic acid

4-[4-[4-carbamoyl-2-(pyridin-3-ylamino)-1,3-oxazol-5-yl]phenyl]piperazine-1-carboxylic acid (PubChem CID 68633718) has the molecular formula C20H20N6O4 and a molecular weight of 408.42 g/mol. Its IUPAC name is 4-[4-[4-carbamoyl-2-(pyridin-3-ylamino)-1,3-oxazol-5-yl]phenyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[4-carbamoyl-2-(pyridin-3-ylamino)-1,3-oxazol-5-yl]phenyl]piperazine-1-carboxylic acid
PubChem CID68633718
Molecular FormulaC20H20N6O4
Molecular Weight408.42 g/mol
Exact Mass408.15
IUPAC Name4-[4-[4-carbamoyl-2-(pyridin-3-ylamino)-1,3-oxazol-5-yl]phenyl]piperazine-1-carboxylic acid
SMILESNC(=O)c1nc(Nc2cccnc2)oc1-c1ccc(N2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C20H20N6O4/c21-18(27)16-17(30-19(24-16)23-14-2-1-7-22-12-14)13-3-5-15(6-4-13)25-8-10-26(11-9-25)20(28)29/h1-7,12H,8-11H2,(H2,21,27)(H,23,24)(H,28,29)
InChIKeyREZFOPHIXQVYJG-UHFFFAOYSA-N
XLogP2.38
TPSA137.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[4-[4-carbamoyl-2-(pyridin-3-ylamino)-1,3-oxazol-5-yl]phenyl]piperazine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-carbamoyl-2-(pyridin-3-ylamino)-1,3-oxazol-5-yl]phenyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[4-[4-carbamoyl-2-(pyridin-3-ylamino)-1,3-oxazol-5-yl]phenyl]piperazine-1-carboxylic acid (CID 68633718) is 4-[4-[4-carbamoyl-2-(pyridin-3-ylamino)-1,3-oxazol-5-yl]phenyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[4-[4-carbamoyl-2-(pyridin-3-ylamino)-1,3-oxazol-5-yl]phenyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[4-[4-carbamoyl-2-(pyridin-3-ylamino)-1,3-oxazol-5-yl]phenyl]piperazine-1-carboxylic acid is NC(=O)c1nc(Nc2cccnc2)oc1-c1ccc(N2CCN(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[4-[4-carbamoyl-2-(pyridin-3-ylamino)-1,3-oxazol-5-yl]phenyl]piperazine-1-carboxylic acid?
The InChIKey is REZFOPHIXQVYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O4/c21-18(27)16-17(30-19(24-16)23-14-2-1-7-22-12-14)13-3-5-15(6-4-13)25-8-10-26(11-9-25)20(28)29/h1-7,12H,8-11H2,(H2,21,27)(H,23,24)(H,28,29).
What are the key properties of 4-[4-[4-carbamoyl-2-(pyridin-3-ylamino)-1,3-oxazol-5-yl]phenyl]piperazine-1-carboxylic acid?
4-[4-[4-carbamoyl-2-(pyridin-3-ylamino)-1,3-oxazol-5-yl]phenyl]piperazine-1-carboxylic acid has a molecular weight of 408.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-carbamoyl-2-(pyridin-3-ylamino)-1,3-oxazol-5-yl]phenyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 68633718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).