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

C16H14F4N4O3 — CID 10667846

IUPACN-[[(5S)-3-[3-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3ccc(C(F)(F)F)n3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H14F4N4O3/c1-9(25)21-7-11-8-23(15(26)27-11)10-2-3-13(12(17)6-10)24-5-4-14(22-24)16(18,19)20/h2-6,11H,7-8H2,1H3,(H,21,25)/t11-/m0/s1
InChIKeyHDDDPJMDHFHHLG-NSHDSACASA-N
MW386.31 g/mol
LogP2.49
Rot. Bonds4

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

N-[[(5S)-3-[3-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10667846) has the molecular formula C16H14F4N4O3 and a molecular weight of 386.31 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10667846
Molecular FormulaC16H14F4N4O3
Molecular Weight386.31 g/mol
Exact Mass386.10
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3ccc(C(F)(F)F)n3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H14F4N4O3/c1-9(25)21-7-11-8-23(15(26)27-11)10-2-3-13(12(17)6-10)24-5-4-14(22-24)16(18,19)20/h2-6,11H,7-8H2,1H3,(H,21,25)/t11-/m0/s1
InChIKeyHDDDPJMDHFHHLG-NSHDSACASA-N
XLogP2.49
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.31
LogP ≤ 52.49
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-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10667846) is N-[[(5S)-3-[3-fluoro-4-[3-(trifluoromethyl)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-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-n3ccc(C(F)(F)F)n3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is HDDDPJMDHFHHLG-NSHDSACASA-N. The full InChI is InChI=1S/C16H14F4N4O3/c1-9(25)21-7-11-8-23(15(26)27-11)10-2-3-13(12(17)6-10)24-5-4-14(22-24)16(18,19)20/h2-6,11H,7-8H2,1H3,(H,21,25)/t11-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 386.31 g/mol, XLogP of 2.49, 4 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-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10667846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).