N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

C17H18F2N4O3 — CID 72859948

IUPACN-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
SMILESCc1c(C(C)NC(=O)CN2CCOC2=O)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C17H18F2N4O3/c1-10(21-16(24)9-22-5-6-26-17(22)25)13-8-20-23(11(13)2)15-4-3-12(18)7-14(15)19/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,21,24)
InChIKeyRUSPVRGMRRJWEF-UHFFFAOYSA-N
MW364.35 g/mol
LogP2.09
Rot. Bonds5

About N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide (PubChem CID 72859948) has the molecular formula C17H18F2N4O3 and a molecular weight of 364.35 g/mol. Its IUPAC name is N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
PubChem CID72859948
Molecular FormulaC17H18F2N4O3
Molecular Weight364.35 g/mol
Exact Mass364.13
IUPAC NameN-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
SMILESCc1c(C(C)NC(=O)CN2CCOC2=O)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C17H18F2N4O3/c1-10(21-16(24)9-22-5-6-26-17(22)25)13-8-20-23(11(13)2)15-4-3-12(18)7-14(15)19/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,21,24)
InChIKeyRUSPVRGMRRJWEF-UHFFFAOYSA-N
XLogP2.09
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The IUPAC name of N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide (CID 72859948) is N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide.
What is the SMILES notation for N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The canonical SMILES for N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide is Cc1c(C(C)NC(=O)CN2CCOC2=O)cnn1-c1ccc(F)cc1F.
What is the InChIKey of N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The InChIKey is RUSPVRGMRRJWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O3/c1-10(21-16(24)9-22-5-6-26-17(22)25)13-8-20-23(11(13)2)15-4-3-12(18)7-14(15)19/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,21,24).
What are the key properties of N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide has a molecular weight of 364.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide is sourced from PubChem (CID 72859948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).