N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]benzamide

C15H16N4O3 — CID 42236564

IUPACN-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(CC(=O)N2CCCO2)c1)c1ccccc1
InChIInChI=1S/C15H16N4O3/c20-14(19-7-4-8-22-19)11-18-10-13(9-16-18)17-15(21)12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2,(H,17,21)
InChIKeyOCXPOWGYTIWQJN-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.30
Rot. Bonds4

About N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]benzamide

N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]benzamide (PubChem CID 42236564) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]benzamide
PubChem CID42236564
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(CC(=O)N2CCCO2)c1)c1ccccc1
InChIInChI=1S/C15H16N4O3/c20-14(19-7-4-8-22-19)11-18-10-13(9-16-18)17-15(21)12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2,(H,17,21)
InChIKeyOCXPOWGYTIWQJN-UHFFFAOYSA-N
XLogP1.30
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]benzamide (CID 42236564) is N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]benzamide is O=C(Nc1cnn(CC(=O)N2CCCO2)c1)c1ccccc1.
What is the InChIKey of N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]benzamide?
The InChIKey is OCXPOWGYTIWQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c20-14(19-7-4-8-22-19)11-18-10-13(9-16-18)17-15(21)12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2,(H,17,21).
What are the key properties of N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]benzamide?
N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]benzamide has a molecular weight of 300.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 42236564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).