3-[4-[5-[(N-acetylanilino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-oxadiazole-5-carboxamide

C21H18FN5O5 — CID 67611980

IUPAC3-[4-[5-[(N-acetylanilino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC(=O)N(CC1CN(c2ccc(-c3noc(C(N)=O)n3)c(F)c2)C(=O)O1)c1ccccc1
InChIInChI=1S/C21H18FN5O5/c1-12(28)26(13-5-3-2-4-6-13)10-15-11-27(21(30)31-15)14-7-8-16(17(22)9-14)19-24-20(18(23)29)32-25-19/h2-9,15H,10-11H2,1H3,(H2,23,29)
InChIKeyBDGBNSLCOZOAPE-UHFFFAOYSA-N
MW439.40 g/mol
LogP2.35
Rot. Bonds6

About 3-[4-[5-[(N-acetylanilino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-oxadiazole-5-carboxamide

3-[4-[5-[(N-acetylanilino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 67611980) has the molecular formula C21H18FN5O5 and a molecular weight of 439.40 g/mol. Its IUPAC name is 3-[4-[5-[(N-acetylanilino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-[5-[(N-acetylanilino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID67611980
Molecular FormulaC21H18FN5O5
Molecular Weight439.40 g/mol
Exact Mass439.13
IUPAC Name3-[4-[5-[(N-acetylanilino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC(=O)N(CC1CN(c2ccc(-c3noc(C(N)=O)n3)c(F)c2)C(=O)O1)c1ccccc1
InChIInChI=1S/C21H18FN5O5/c1-12(28)26(13-5-3-2-4-6-13)10-15-11-27(21(30)31-15)14-7-8-16(17(22)9-14)19-24-20(18(23)29)32-25-19/h2-9,15H,10-11H2,1H3,(H2,23,29)
InChIKeyBDGBNSLCOZOAPE-UHFFFAOYSA-N
XLogP2.35
TPSA131.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(5S)-3-[3,5-difluoro-4-[4-fluoro-4-(methoxymethyl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-phenylacetamide
CID 23652682
5-(aminomethyl)-3-[3-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 142879229
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide
CID 158273364
[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]methyl-phenylcarbamic acid
CID 69397899
2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxamide
CID 142682767
N-[[3-[3,5-difluoro-4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86297896
methyl N-[[3-[4-(4-carbamoyl-1,3-oxazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 142682754
(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10411371
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
1-(dimethylamino)-1-[[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]urea
CID 135351769
N-[[(5S)-3-[3-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 71740964
2,2,2-trichloroethyl N-[[(5R)-3-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(1,2-oxazol-3-yl)carbamate
CID 20725696

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[(N-acetylanilino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[4-[5-[(N-acetylanilino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-oxadiazole-5-carboxamide (CID 67611980) is 3-[4-[5-[(N-acetylanilino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[4-[5-[(N-acetylanilino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[4-[5-[(N-acetylanilino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-oxadiazole-5-carboxamide is CC(=O)N(CC1CN(c2ccc(-c3noc(C(N)=O)n3)c(F)c2)C(=O)O1)c1ccccc1.
What is the InChIKey of 3-[4-[5-[(N-acetylanilino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is BDGBNSLCOZOAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O5/c1-12(28)26(13-5-3-2-4-6-13)10-15-11-27(21(30)31-15)14-7-8-16(17(22)9-14)19-24-20(18(23)29)32-25-19/h2-9,15H,10-11H2,1H3,(H2,23,29).
What are the key properties of 3-[4-[5-[(N-acetylanilino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-oxadiazole-5-carboxamide?
3-[4-[5-[(N-acetylanilino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 439.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-[(N-acetylanilino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 67611980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).