N-[[(5S)-3-[4-[2-(2-aminopyrimidin-5-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H17F2N5O3 — CID 70144379

IUPACN-[[(5S)-3-[4-[2-(2-aminopyrimidin-5-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C=C(F)c3cnc(N)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H17F2N5O3/c1-10(26)22-8-14-9-25(18(27)28-14)13-3-2-11(16(20)5-13)4-15(19)12-6-23-17(21)24-7-12/h2-7,14H,8-9H2,1H3,(H,22,26)(H2,21,23,24)/t14-/m0/s1
InChIKeyHRYIXDJLBIYCLH-AWEZNQCLSA-N
MW389.36 g/mol
LogP2.13
Rot. Bonds5

About N-[[(5S)-3-[4-[2-(2-aminopyrimidin-5-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[2-(2-aminopyrimidin-5-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 70144379) has the molecular formula C18H17F2N5O3 and a molecular weight of 389.36 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[2-(2-aminopyrimidin-5-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[2-(2-aminopyrimidin-5-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID70144379
Molecular FormulaC18H17F2N5O3
Molecular Weight389.36 g/mol
Exact Mass389.13
IUPAC NameN-[[(5S)-3-[4-[2-(2-aminopyrimidin-5-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C=C(F)c3cnc(N)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H17F2N5O3/c1-10(26)22-8-14-9-25(18(27)28-14)13-3-2-11(16(20)5-13)4-15(19)12-6-23-17(21)24-7-12/h2-7,14H,8-9H2,1H3,(H,22,26)(H2,21,23,24)/t14-/m0/s1
InChIKeyHRYIXDJLBIYCLH-AWEZNQCLSA-N
XLogP2.13
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(5S)-3-[4-[2-(2-cyanothiophen-3-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70143933
N-[[(5S)-3-[4-[2-(benzenesulfonyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70146611
N-[[(5S)-3-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173257560
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
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CID 173264406
N-[[(5S)-3-[4-[2-(5-cyano-3-pyridinyl)ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70144060
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-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10392453
N-[[(5S)-3-[4-[3-(difluoromethylidene)azetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70196493
N-[[3-[4-[2-(1-aminocyclopropyl)pyrimidin-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 72957971

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[2-(2-aminopyrimidin-5-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[2-(2-aminopyrimidin-5-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 70144379) is N-[[(5S)-3-[4-[2-(2-aminopyrimidin-5-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[2-(2-aminopyrimidin-5-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[2-(2-aminopyrimidin-5-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C=C(F)c3cnc(N)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[2-(2-aminopyrimidin-5-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is HRYIXDJLBIYCLH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17F2N5O3/c1-10(26)22-8-14-9-25(18(27)28-14)13-3-2-11(16(20)5-13)4-15(19)12-6-23-17(21)24-7-12/h2-7,14H,8-9H2,1H3,(H,22,26)(H2,21,23,24)/t14-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[2-(2-aminopyrimidin-5-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[2-(2-aminopyrimidin-5-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 389.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[2-(2-aminopyrimidin-5-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 70144379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).