N-[[(5S)-3-[3-fluoro-4-[5-(4-methylphenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C22H21FN4O3 — CID 71477787

IUPACN-[[(5S)-3-[3-fluoro-4-[5-(4-methylphenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3nccc3-c3ccc(C)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H21FN4O3/c1-14-3-5-16(6-4-14)20-9-10-25-27(20)21-8-7-17(11-19(21)23)26-13-18(30-22(26)29)12-24-15(2)28/h3-11,18H,12-13H2,1-2H3,(H,24,28)/t18-/m0/s1
InChIKeyUKKXUPZTOTWKFV-SFHVURJKSA-N
MW408.43 g/mol
LogP3.45
Rot. Bonds5

About N-[[(5S)-3-[3-fluoro-4-[5-(4-methylphenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[5-(4-methylphenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 71477787) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[5-(4-methylphenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[5-(4-methylphenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID71477787
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[5-(4-methylphenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3nccc3-c3ccc(C)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H21FN4O3/c1-14-3-5-16(6-4-14)20-9-10-25-27(20)21-8-7-17(11-19(21)23)26-13-18(30-22(26)29)12-24-15(2)28/h3-11,18H,12-13H2,1-2H3,(H,24,28)/t18-/m0/s1
InChIKeyUKKXUPZTOTWKFV-SFHVURJKSA-N
XLogP3.45
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[5-(4-methylphenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[5-(4-methylphenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 71477787) is N-[[(5S)-3-[3-fluoro-4-[5-(4-methylphenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[5-(4-methylphenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[5-(4-methylphenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-n3nccc3-c3ccc(C)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[5-(4-methylphenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is UKKXUPZTOTWKFV-SFHVURJKSA-N. The full InChI is InChI=1S/C22H21FN4O3/c1-14-3-5-16(6-4-14)20-9-10-25-27(20)21-8-7-17(11-19(21)23)26-13-18(30-22(26)29)12-24-15(2)28/h3-11,18H,12-13H2,1-2H3,(H,24,28)/t18-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[5-(4-methylphenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[5-(4-methylphenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 408.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[5-(4-methylphenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 71477787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).