N-[1-(2-chlorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide

C16H17ClN4O3 — CID 56782473

IUPACN-[1-(2-chlorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide
SMILESO=C(CCCN1CCOC1=O)Nc1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C16H17ClN4O3/c17-13-4-1-2-5-14(13)21-11-12(10-18-21)19-15(22)6-3-7-20-8-9-24-16(20)23/h1-2,4-5,10-11H,3,6-9H2,(H,19,22)
InChIKeyXMXHEWBIULECIG-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.70
Rot. Bonds6

About N-[1-(2-chlorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide

N-[1-(2-chlorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide (PubChem CID 56782473) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide
PubChem CID56782473
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC NameN-[1-(2-chlorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide
SMILESO=C(CCCN1CCOC1=O)Nc1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C16H17ClN4O3/c17-13-4-1-2-5-14(13)21-11-12(10-18-21)19-15(22)6-3-7-20-8-9-24-16(20)23/h1-2,4-5,10-11H,3,6-9H2,(H,19,22)
InChIKeyXMXHEWBIULECIG-UHFFFAOYSA-N
XLogP2.70
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide?
The IUPAC name of N-[1-(2-chlorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide (CID 56782473) is N-[1-(2-chlorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide?
The canonical SMILES for N-[1-(2-chlorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide is O=C(CCCN1CCOC1=O)Nc1cnn(-c2ccccc2Cl)c1.
What is the InChIKey of N-[1-(2-chlorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide?
The InChIKey is XMXHEWBIULECIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c17-13-4-1-2-5-14(13)21-11-12(10-18-21)19-15(22)6-3-7-20-8-9-24-16(20)23/h1-2,4-5,10-11H,3,6-9H2,(H,19,22).
What are the key properties of N-[1-(2-chlorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide?
N-[1-(2-chlorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide has a molecular weight of 348.79 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide is sourced from PubChem (CID 56782473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).