2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxamide

C16H15FN4O5 — CID 142682767

IUPAC2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxamide
SMILESCC(=O)NCC1CN(c2ccc(-c3nc(C(N)=O)co3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H15FN4O5/c1-8(22)19-5-10-6-21(16(24)26-10)9-2-3-11(12(17)4-9)15-20-13(7-25-15)14(18)23/h2-4,7,10H,5-6H2,1H3,(H2,18,23)(H,19,22)
InChIKeyDJFIAHJPTLOWLD-UHFFFAOYSA-N
MW362.32 g/mol
LogP1.04
Rot. Bonds5

About 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxamide

2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxamide (PubChem CID 142682767) has the molecular formula C16H15FN4O5 and a molecular weight of 362.32 g/mol. Its IUPAC name is 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxamide
PubChem CID142682767
Molecular FormulaC16H15FN4O5
Molecular Weight362.32 g/mol
Exact Mass362.10
IUPAC Name2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxamide
SMILESCC(=O)NCC1CN(c2ccc(-c3nc(C(N)=O)co3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H15FN4O5/c1-8(22)19-5-10-6-21(16(24)26-10)9-2-3-11(12(17)4-9)15-20-13(7-25-15)14(18)23/h2-4,7,10H,5-6H2,1H3,(H2,18,23)(H,19,22)
InChIKeyDJFIAHJPTLOWLD-UHFFFAOYSA-N
XLogP1.04
TPSA127.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

methyl N-[[3-[4-(4-carbamoyl-1,3-oxazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 142682754
ethyl 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxylate
CID 142682734
N-[[3-[3-fluoro-4-[4-(1-methyltetrazol-5-yl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142682717
ethyl 2-[2-fluoro-4-[5-[(methoxycarbonylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1,3-oxazole-4-carboxylate
CID 142682714
N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25120883
N-[[(5R)-3-[4-[4-[(5S)-5-[(diaminomethylideneamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10345940
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
3-[[(5S)-3-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoic acid
CID 10370215
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-[[(5R)-3-[4-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10348392
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[(5S)-3-[4-[(1R,5R,6S)-6-amino-3-bicyclo[3.1.0]hex-2-enyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20786636

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxamide (CID 142682767) is 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxamide is CC(=O)NCC1CN(c2ccc(-c3nc(C(N)=O)co3)c(F)c2)C(=O)O1.
What is the InChIKey of 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is DJFIAHJPTLOWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O5/c1-8(22)19-5-10-6-21(16(24)26-10)9-2-3-11(12(17)4-9)15-20-13(7-25-15)14(18)23/h2-4,7,10H,5-6H2,1H3,(H2,18,23)(H,19,22).
What are the key properties of 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxamide?
2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 362.32 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 142682767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).