4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide

C14H16N4O3 — CID 13011270

IUPAC4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(C2=NC(=O)C(c3ccccc3)O2)CC1
InChIInChI=1S/C14H16N4O3/c15-13(20)17-6-8-18(9-7-17)14-16-12(19)11(21-14)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,15,20)
InChIKeyZFUCDQIGHQNKSA-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.34
Rot. Bonds1

About 4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide

4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide (PubChem CID 13011270) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide
PubChem CID13011270
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(C2=NC(=O)C(c3ccccc3)O2)CC1
InChIInChI=1S/C14H16N4O3/c15-13(20)17-6-8-18(9-7-17)14-16-12(19)11(21-14)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,15,20)
InChIKeyZFUCDQIGHQNKSA-UHFFFAOYSA-N
XLogP0.34
TPSA88.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide (CID 13011270) is 4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide is NC(=O)N1CCN(C2=NC(=O)C(c3ccccc3)O2)CC1.
What is the InChIKey of 4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide?
The InChIKey is ZFUCDQIGHQNKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c15-13(20)17-6-8-18(9-7-17)14-16-12(19)11(21-14)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,15,20).
What are the key properties of 4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide?
4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 13011270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).