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

C20H18FN5O3 — CID 71477479

IUPACN-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H18FN5O3/c1-13(27)23-10-16-12-25(20(28)29-16)15-5-6-19(17(21)8-15)26-11-14(9-24-26)18-4-2-3-7-22-18/h2-9,11,16H,10,12H2,1H3,(H,23,27)/t16-/m0/s1
InChIKeyVNFLKKKPBDUPAO-INIZCTEOSA-N
MW395.39 g/mol
LogP2.53
Rot. Bonds5

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

N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 71477479) has the molecular formula C20H18FN5O3 and a molecular weight of 395.39 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID71477479
Molecular FormulaC20H18FN5O3
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H18FN5O3/c1-13(27)23-10-16-12-25(20(28)29-16)15-5-6-19(17(21)8-15)26-11-14(9-24-26)18-4-2-3-7-22-18/h2-9,11,16H,10,12H2,1H3,(H,23,27)/t16-/m0/s1
InChIKeyVNFLKKKPBDUPAO-INIZCTEOSA-N
XLogP2.53
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Rwj-416457
CID 15984076
8-[[[1-(2-Fluorophenyl)pyrazol-4-yl]amino]methyl]-3-(2-methyl-3-pyridinyl)-1-oxa-3-azaspiro[4.5]decan-2-one
CID 52943793
(s)-n-[2-Oxo-3-(3-pyridin-4-yl-1,4,5,6-tetrahydro-1,2-diaza-benzo[e]azulen-8-yl)-oxazolidin-5-ylmethyl]-acetamide
CID 10477067
(s)-n-[2-Oxo-3-(3-pyridin-3-yl-1,4,5,6-tetrahydro-1,2-diaza-benzo[e]azulen-8-yl)-oxazolidin-5-ylmethyl]-acetamide
CID 44441489
8-[3-[4-(1-Methylpyrazol-4-yl)phenyl]-5-(trifluoromethyl)pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 118395100
8-[3-Fluoro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 118408040
3-[2-({[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)ethyl]-1,3-oxazolidin-2-one
CID 16188420
3-[2-({[3-(3-fluorophenyl)-1-(3-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)ethyl]-1,3-oxazolidin-2-one
CID 16189204
(5S)-5-{[{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}(pyridin-2-ylmethyl)amino]methyl}pyrrolidin-2-one
CID 16190975
(E)-N-(2-morpholin-4-ylethyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide;hydrochloride
CID 16196231
N-[[(5S)-3-[1-(3-fluoro-4-morpholino-phenyl)pyrrol-3-yl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 5273691
N-{(S)-3-[3-Fluoro-4-((E)-2-pyridin-3-yl-vinyl)-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 9968540

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 71477479) is N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-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-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is VNFLKKKPBDUPAO-INIZCTEOSA-N. The full InChI is InChI=1S/C20H18FN5O3/c1-13(27)23-10-16-12-25(20(28)29-16)15-5-6-19(17(21)8-15)26-11-14(9-24-26)18-4-2-3-7-22-18/h2-9,11,16H,10,12H2,1H3,(H,23,27)/t16-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 395.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 71477479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).