N-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide;hydrochloride

C13H13ClFN5O3 — CID 142686777

IUPACN-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide;hydrochloride
SMILESCl.O=CNCC1CN(c2ccc(-n3cncn3)c(F)c2)C(=O)O1
InChIInChI=1S/C13H12FN5O3.ClH/c14-11-3-9(1-2-12(11)19-7-16-6-17-19)18-5-10(4-15-8-20)22-13(18)21;/h1-3,6-8,10H,4-5H2,(H,15,20);1H
InChIKeyWMSZPQJBOBIOEB-UHFFFAOYSA-N
MW341.73 g/mol
LogP0.90
Rot. Bonds5

About N-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide;hydrochloride

N-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide;hydrochloride (PubChem CID 142686777) has the molecular formula C13H13ClFN5O3 and a molecular weight of 341.73 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide;hydrochloride
PubChem CID142686777
Molecular FormulaC13H13ClFN5O3
Molecular Weight341.73 g/mol
Exact Mass341.07
IUPAC NameN-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide;hydrochloride
SMILESCl.O=CNCC1CN(c2ccc(-n3cncn3)c(F)c2)C(=O)O1
InChIInChI=1S/C13H12FN5O3.ClH/c14-11-3-9(1-2-12(11)19-7-16-6-17-19)18-5-10(4-15-8-20)22-13(18)21;/h1-3,6-8,10H,4-5H2,(H,15,20);1H
InChIKeyWMSZPQJBOBIOEB-UHFFFAOYSA-N
XLogP0.90
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.73
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 22943658
1-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2,4-triazole-3-carbonitrile
CID 141230603
N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide
CID 6482331
ethane;N-[[3-[3-fluoro-4-(2,2,6,6-tetrahydroxymorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
CID 145494793
4-(4-acetamidophenyl)-N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
CID 6482333
N-[[(5S)-3-[4-[4-(cyanomethylidene)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
CID 24885427
N-[[(5S)-3-[3-fluoro-4-[4-[5-(4-methyl-1,3-dioxetan-2-yl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
CID 89230558
N-[[3-[4-(2-benzyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
CID 142270595
N-[[(5S)-3-(4-azido-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
CID 89363600
N-[[3-[3-fluoro-4-(4-formyltriazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54175848
methyl N-[[(5S)-3-[3-fluoro-4-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 25118422
[(5S)-2-oxo-3-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-oxazolidin-5-yl]methylthiourea
CID 87951002

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide;hydrochloride?
The IUPAC name of N-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide;hydrochloride (CID 142686777) is N-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide;hydrochloride.
What is the SMILES notation for N-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide;hydrochloride?
The canonical SMILES for N-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide;hydrochloride is Cl.O=CNCC1CN(c2ccc(-n3cncn3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide;hydrochloride?
The InChIKey is WMSZPQJBOBIOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O3.ClH/c14-11-3-9(1-2-12(11)19-7-16-6-17-19)18-5-10(4-15-8-20)22-13(18)21;/h1-3,6-8,10H,4-5H2,(H,15,20);1H.
What are the key properties of N-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide;hydrochloride?
N-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide;hydrochloride has a molecular weight of 341.73 g/mol, XLogP of 0.90, 5 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-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide;hydrochloride is sourced from PubChem (CID 142686777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).