N-[[(5S)-3-[4-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide

C21H23FN6O2 — CID 11697211

IUPACN-[[(5S)-3-[4-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3cnc(-n4nc(C)cc4C)nc3)c(F)c2)CO1
InChIInChI=1S/C21H23FN6O2/c1-13-6-14(2)28(26-13)21-24-8-16(9-25-21)19-5-4-17(7-20(19)22)27-11-18(30-12-27)10-23-15(3)29/h4-9,18H,10-12H2,1-3H3,(H,23,29)/t18-/m0/s1
InChIKeyNGYFFLPKZUKQEK-SFHVURJKSA-N
MW410.45 g/mol
LogP2.38
Rot. Bonds5

About N-[[(5S)-3-[4-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11697211) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11697211
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC NameN-[[(5S)-3-[4-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3cnc(-n4nc(C)cc4C)nc3)c(F)c2)CO1
InChIInChI=1S/C21H23FN6O2/c1-13-6-14(2)28(26-13)21-24-8-16(9-25-21)19-5-4-17(7-20(19)22)27-11-18(30-12-27)10-23-15(3)29/h4-9,18H,10-12H2,1-3H3,(H,23,29)/t18-/m0/s1
InChIKeyNGYFFLPKZUKQEK-SFHVURJKSA-N
XLogP2.38
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-[4-[2-(1-aminocyclopropyl)pyrimidin-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 72957971
N-[[(5S)-3-[3-fluoro-4-[2-(4-prop-2-enoylpiperazin-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10298753
N-[[(5S)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68773740
tert-butyl 4-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrimidin-2-yl]piperazine-1-carboxylate
CID 68541825
N-[[(5S)-3-[3-fluoro-4-[6-(1,2,4-triazol-1-ylmethyl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11304419
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[3-[3-fluoro-4-[4-[(5-methylimidazol-1-yl)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274175
N-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67551168
N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-yl)piperidin-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 163515816
N-[[(5S)-3-[4-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]pyrimidin-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10188386
N-[[3-[3-fluoro-4-[6-[(1,3-oxazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274157
N-[[(5S)-3-[3-fluoro-4-[6-[(2H-triazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11430579

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11697211) is N-[[(5S)-3-[4-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3cnc(-n4nc(C)cc4C)nc3)c(F)c2)CO1.
What is the InChIKey of N-[[(5S)-3-[4-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is NGYFFLPKZUKQEK-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23FN6O2/c1-13-6-14(2)28(26-13)21-24-8-16(9-25-21)19-5-4-17(7-20(19)22)27-11-18(30-12-27)10-23-15(3)29/h4-9,18H,10-12H2,1-3H3,(H,23,29)/t18-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 410.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11697211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).