N-[[3-(3-fluoro-4-pyrrolo[3,4-d]pyrimidin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H16FN5O3 — CID 22087057

IUPACN-[[3-(3-fluoro-4-pyrrolo[3,4-d]pyrimidin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-n3cc4cncnc4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H16FN5O3/c1-11(25)21-6-14-8-24(18(26)27-14)13-2-3-17(15(19)4-13)23-7-12-5-20-10-22-16(12)9-23/h2-5,7,9-10,14H,6,8H2,1H3,(H,21,25)
InChIKeyUWDWNSJMCVCYJN-UHFFFAOYSA-N
MW369.36 g/mol
LogP2.02
Rot. Bonds4

About N-[[3-(3-fluoro-4-pyrrolo[3,4-d]pyrimidin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-(3-fluoro-4-pyrrolo[3,4-d]pyrimidin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 22087057) has the molecular formula C18H16FN5O3 and a molecular weight of 369.36 g/mol. Its IUPAC name is N-[[3-(3-fluoro-4-pyrrolo[3,4-d]pyrimidin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(3-fluoro-4-pyrrolo[3,4-d]pyrimidin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID22087057
Molecular FormulaC18H16FN5O3
Molecular Weight369.36 g/mol
Exact Mass369.12
IUPAC NameN-[[3-(3-fluoro-4-pyrrolo[3,4-d]pyrimidin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-n3cc4cncnc4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H16FN5O3/c1-11(25)21-6-14-8-24(18(26)27-14)13-2-3-17(15(19)4-13)23-7-12-5-20-10-22-16(12)9-23/h2-5,7,9-10,14H,6,8H2,1H3,(H,21,25)
InChIKeyUWDWNSJMCVCYJN-UHFFFAOYSA-N
XLogP2.02
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-(2-pyrazin-2-ylpyrrolo[3,4-d]pyrimidin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10182187
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[(5S)-3-[4-(4-cyanoimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10497540
N-[[3-[4-(4-ethynylimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21255482
N-[[(5S)-3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11290525
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
N-[[3-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67692426
N-[[3-[3-fluoro-4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67629593
N-[[(5S)-3-[4-[3-(difluoromethylidene)azetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70196493
N-[[(5S)-3-[3-fluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15381194
N-[[3-[3-fluoro-4-[4-[(pyrimidin-2-ylamino)methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18340258
N-[[(5S)-3-[4-[3-(5-acetyl-1,2-oxazol-3-yl)pyrrol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25050036

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluoro-4-pyrrolo[3,4-d]pyrimidin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-(3-fluoro-4-pyrrolo[3,4-d]pyrimidin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 22087057) is N-[[3-(3-fluoro-4-pyrrolo[3,4-d]pyrimidin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-(3-fluoro-4-pyrrolo[3,4-d]pyrimidin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-(3-fluoro-4-pyrrolo[3,4-d]pyrimidin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-n3cc4cncnc4c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-(3-fluoro-4-pyrrolo[3,4-d]pyrimidin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is UWDWNSJMCVCYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O3/c1-11(25)21-6-14-8-24(18(26)27-14)13-2-3-17(15(19)4-13)23-7-12-5-20-10-22-16(12)9-23/h2-5,7,9-10,14H,6,8H2,1H3,(H,21,25).
What are the key properties of N-[[3-(3-fluoro-4-pyrrolo[3,4-d]pyrimidin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-(3-fluoro-4-pyrrolo[3,4-d]pyrimidin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 369.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluoro-4-pyrrolo[3,4-d]pyrimidin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 22087057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).