N-[[(5S)-3-[3-fluoro-4-[(E)-3-(1H-imidazol-2-yl)prop-2-enoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H17FN4O4 — CID 16655298

IUPACN-[[(5S)-3-[3-fluoro-4-[(E)-3-(1H-imidazol-2-yl)prop-2-enoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C(=O)/C=C/c3ncc[nH]3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H17FN4O4/c1-11(24)22-9-13-10-23(18(26)27-13)12-2-3-14(15(19)8-12)16(25)4-5-17-20-6-7-21-17/h2-8,13H,9-10H2,1H3,(H,20,21)(H,22,24)/b5-4+/t13-/m0/s1
InChIKeyXUNNIJHMPKRHBF-IHVVCDCBSA-N
MW372.36 g/mol
LogP1.91
Rot. Bonds6

About N-[[(5S)-3-[3-fluoro-4-[(E)-3-(1H-imidazol-2-yl)prop-2-enoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[(E)-3-(1H-imidazol-2-yl)prop-2-enoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 16655298) has the molecular formula C18H17FN4O4 and a molecular weight of 372.36 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[(E)-3-(1H-imidazol-2-yl)prop-2-enoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[(E)-3-(1H-imidazol-2-yl)prop-2-enoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID16655298
Molecular FormulaC18H17FN4O4
Molecular Weight372.36 g/mol
Exact Mass372.12
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[(E)-3-(1H-imidazol-2-yl)prop-2-enoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C(=O)/C=C/c3ncc[nH]3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H17FN4O4/c1-11(24)22-9-13-10-23(18(26)27-13)12-2-3-14(15(19)8-12)16(25)4-5-17-20-6-7-21-17/h2-8,13H,9-10H2,1H3,(H,20,21)(H,22,24)/b5-4+/t13-/m0/s1
InChIKeyXUNNIJHMPKRHBF-IHVVCDCBSA-N
XLogP1.91
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1H-imidazol-2-yl)benzamide
CID 3006436
O-methyl N-[[(5S)-3-[3-fluoro-4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate
CID 16655235
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[(5S)-3-[4-(azetidin-3-ylamino)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67273734
N-[[(5S)-3-[4-[(Z)-N-amino-N-methyl-N'-(methylideneamino)carbamimidoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 89174951
N-[[3-[3-fluoro-4-[4-(1,3-oxazol-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67623432
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-[[(5S)-3-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994592

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(E)-3-(1H-imidazol-2-yl)prop-2-enoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(E)-3-(1H-imidazol-2-yl)prop-2-enoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 16655298) is N-[[(5S)-3-[3-fluoro-4-[(E)-3-(1H-imidazol-2-yl)prop-2-enoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[(E)-3-(1H-imidazol-2-yl)prop-2-enoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[(E)-3-(1H-imidazol-2-yl)prop-2-enoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C(=O)/C=C/c3ncc[nH]3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[(E)-3-(1H-imidazol-2-yl)prop-2-enoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is XUNNIJHMPKRHBF-IHVVCDCBSA-N. The full InChI is InChI=1S/C18H17FN4O4/c1-11(24)22-9-13-10-23(18(26)27-13)12-2-3-14(15(19)8-12)16(25)4-5-17-20-6-7-21-17/h2-8,13H,9-10H2,1H3,(H,20,21)(H,22,24)/b5-4+/t13-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[(E)-3-(1H-imidazol-2-yl)prop-2-enoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[(E)-3-(1H-imidazol-2-yl)prop-2-enoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 372.36 g/mol, XLogP of 1.91, 6 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-[(E)-3-(1H-imidazol-2-yl)prop-2-enoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 16655298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).