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

C21H18F2N4O3 — CID 71477639

IUPACN-[[(5S)-3-[3-fluoro-4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3nccc3-c3ccc(F)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H18F2N4O3/c1-13(28)24-11-17-12-26(21(29)30-17)16-6-7-20(18(23)10-16)27-19(8-9-25-27)14-2-4-15(22)5-3-14/h2-10,17H,11-12H2,1H3,(H,24,28)/t17-/m0/s1
InChIKeyGJNCMWKNMXTTRX-KRWDZBQOSA-N
MW412.40 g/mol
LogP3.28
Rot. Bonds5

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

N-[[(5S)-3-[3-fluoro-4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 71477639) has the molecular formula C21H18F2N4O3 and a molecular weight of 412.40 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID71477639
Molecular FormulaC21H18F2N4O3
Molecular Weight412.40 g/mol
Exact Mass412.13
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3nccc3-c3ccc(F)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H18F2N4O3/c1-13(28)24-11-17-12-26(21(29)30-17)16-6-7-20(18(23)10-16)27-19(8-9-25-27)14-2-4-15(22)5-3-14/h2-10,17H,11-12H2,1H3,(H,24,28)/t17-/m0/s1
InChIKeyGJNCMWKNMXTTRX-KRWDZBQOSA-N
XLogP3.28
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 53.28
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-fluorophenyl)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-fluorophenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 71477639) is N-[[(5S)-3-[3-fluoro-4-[5-(4-fluorophenyl)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-fluorophenyl)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-fluorophenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-n3nccc3-c3ccc(F)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is GJNCMWKNMXTTRX-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H18F2N4O3/c1-13(28)24-11-17-12-26(21(29)30-17)16-6-7-20(18(23)10-16)27-19(8-9-25-27)14-2-4-15(22)5-3-14/h2-10,17H,11-12H2,1H3,(H,24,28)/t17-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 412.40 g/mol, XLogP of 3.28, 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-fluorophenyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 71477639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).