N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(1H-pyrazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C21H22FN5O4 — CID 11177822

IUPACN-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(1H-pyrazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3[C@H]4CN(C(=O)c5cn[nH]c5)C[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C21H22FN5O4/c1-11(28)23-7-14-8-27(21(30)31-14)13-2-3-15(18(22)4-13)19-16-9-26(10-17(16)19)20(29)12-5-24-25-6-12/h2-6,14,16-17,19H,7-10H2,1H3,(H,23,28)(H,24,25)/t14-,16-,17+,19?/m0/s1
InChIKeyOJZDFAZLOZVMQF-DBRDSBMUSA-N
MW427.44 g/mol
LogP1.50
Rot. Bonds5

About N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(1H-pyrazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(1H-pyrazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11177822) has the molecular formula C21H22FN5O4 and a molecular weight of 427.44 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(1H-pyrazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(1H-pyrazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11177822
Molecular FormulaC21H22FN5O4
Molecular Weight427.44 g/mol
Exact Mass427.17
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(1H-pyrazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3[C@H]4CN(C(=O)c5cn[nH]c5)C[C@@H]34)c(F)c2)C(=O)O1
InChIInChI=1S/C21H22FN5O4/c1-11(28)23-7-14-8-27(21(30)31-14)13-2-3-15(18(22)4-13)19-16-9-26(10-17(16)19)20(29)12-5-24-25-6-12/h2-6,14,16-17,19H,7-10H2,1H3,(H,23,28)(H,24,25)/t14-,16-,17+,19?/m0/s1
InChIKeyOJZDFAZLOZVMQF-DBRDSBMUSA-N
XLogP1.50
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(1H-pyrazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(1H-pyrazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11177822) is N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(1H-pyrazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(1H-pyrazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(1H-pyrazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C3[C@H]4CN(C(=O)c5cn[nH]c5)C[C@@H]34)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(1H-pyrazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is OJZDFAZLOZVMQF-DBRDSBMUSA-N. The full InChI is InChI=1S/C21H22FN5O4/c1-11(28)23-7-14-8-27(21(30)31-14)13-2-3-15(18(22)4-13)19-16-9-26(10-17(16)19)20(29)12-5-24-25-6-12/h2-6,14,16-17,19H,7-10H2,1H3,(H,23,28)(H,24,25)/t14-,16-,17+,19?/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(1H-pyrazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(1H-pyrazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 427.44 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(1H-pyrazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11177822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).