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

C21H19FN4O3 — CID 90168312

IUPACN-[[(5S)-3-[3-fluoro-4-(4-phenylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3cc(-c4ccccc4)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H19FN4O3/c1-14(27)23-11-18-13-25(21(28)29-18)17-7-8-20(19(22)9-17)26-12-16(10-24-26)15-5-3-2-4-6-15/h2-10,12,18H,11,13H2,1H3,(H,23,27)/t18-/m0/s1
InChIKeyMWUXKEMKLPGTAK-SFHVURJKSA-N
MW394.41 g/mol
LogP3.14
Rot. Bonds5

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

N-[[(5S)-3-[3-fluoro-4-(4-phenylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 90168312) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(4-phenylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(4-phenylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID90168312
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(4-phenylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3cc(-c4ccccc4)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H19FN4O3/c1-14(27)23-11-18-13-25(21(28)29-18)17-7-8-20(19(22)9-17)26-12-16(10-24-26)15-5-3-2-4-6-15/h2-10,12,18H,11,13H2,1H3,(H,23,27)/t18-/m0/s1
InChIKeyMWUXKEMKLPGTAK-SFHVURJKSA-N
XLogP3.14
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(5S)-3-[4-[4-(4-chlorophenyl)pyrazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
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N-[[(5S)-3-[3-fluoro-4-(4-pyridin-3-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 122205194
N-[[(5S)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10337481
N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;phosphono dihydrogen phosphate
CID 175294774
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N-[[(5S)-3-[3-fluoro-4-[(3R)-3-[4-(4-fluorophenyl)pyrazol-1-yl]pyrrolidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 44599151
N-[[3-[3-fluoro-4-(4-formyltriazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
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N-[[(5S)-3-[4-[5-(difluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 141476851
N-[[(5S)-3-[3-fluoro-4-(2-oxo-3-phenylimidazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 174485027
N-[[(5S)-3-[3-fluoro-4-[3-(4-pyridin-4-ylpyrazol-1-yl)pyrrolidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 44600111
N-[[3-[4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142224217

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-(4-phenylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(4-phenylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 90168312) is N-[[(5S)-3-[3-fluoro-4-(4-phenylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(4-phenylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(4-phenylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-n3cc(-c4ccccc4)cn3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(4-phenylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is MWUXKEMKLPGTAK-SFHVURJKSA-N. The full InChI is InChI=1S/C21H19FN4O3/c1-14(27)23-11-18-13-25(21(28)29-18)17-7-8-20(19(22)9-17)26-12-16(10-24-26)15-5-3-2-4-6-15/h2-10,12,18H,11,13H2,1H3,(H,23,27)/t18-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(4-phenylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-(4-phenylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 394.41 g/mol, XLogP of 3.14, 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-(4-phenylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 90168312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).