N-[[(5S)-3-[3-fluoro-4-[5-(1-methyltetrazol-5-yl)furan-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H17FN6O4 — CID 11632716

IUPACN-[[(5S)-3-[3-fluoro-4-[5-(1-methyltetrazol-5-yl)furan-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(-c4nnnn4C)o3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H17FN6O4/c1-10(26)20-8-12-9-25(18(27)28-12)11-3-4-13(14(19)7-11)15-5-6-16(29-15)17-21-22-23-24(17)2/h3-7,12H,8-9H2,1-2H3,(H,20,26)/t12-/m0/s1
InChIKeyHJSSPHCVSOJMER-LBPRGKRZSA-N
MW400.37 g/mol
LogP1.74
Rot. Bonds5

About N-[[(5S)-3-[3-fluoro-4-[5-(1-methyltetrazol-5-yl)furan-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[5-(1-methyltetrazol-5-yl)furan-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11632716) has the molecular formula C18H17FN6O4 and a molecular weight of 400.37 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[5-(1-methyltetrazol-5-yl)furan-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[5-(1-methyltetrazol-5-yl)furan-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11632716
Molecular FormulaC18H17FN6O4
Molecular Weight400.37 g/mol
Exact Mass400.13
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[5-(1-methyltetrazol-5-yl)furan-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(-c4nnnn4C)o3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H17FN6O4/c1-10(26)20-8-12-9-25(18(27)28-12)11-3-4-13(14(19)7-11)15-5-6-16(29-15)17-21-22-23-24(17)2/h3-7,12H,8-9H2,1-2H3,(H,20,26)/t12-/m0/s1
InChIKeyHJSSPHCVSOJMER-LBPRGKRZSA-N
XLogP1.74
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
N-[[3-[3-fluoro-4-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274218
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[(5S)-3-[4-[4-[(5-aminotetrazol-1-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11604263
N-[[3-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142987396
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
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-[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
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-[[(5S)-3-[3-fluoro-4-(5-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58239262
N-[[3-[3-fluoro-4-[4-[(5-methyltetrazol-2-yl)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274143
N-[[(5S)-3-[3-fluoro-4-[4-[(5-methylsulfanyltetrazol-1-yl)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11655445

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[5-(1-methyltetrazol-5-yl)furan-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[5-(1-methyltetrazol-5-yl)furan-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11632716) is N-[[(5S)-3-[3-fluoro-4-[5-(1-methyltetrazol-5-yl)furan-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[5-(1-methyltetrazol-5-yl)furan-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[5-(1-methyltetrazol-5-yl)furan-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(-c4nnnn4C)o3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[5-(1-methyltetrazol-5-yl)furan-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is HJSSPHCVSOJMER-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17FN6O4/c1-10(26)20-8-12-9-25(18(27)28-12)11-3-4-13(14(19)7-11)15-5-6-16(29-15)17-21-22-23-24(17)2/h3-7,12H,8-9H2,1-2H3,(H,20,26)/t12-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[5-(1-methyltetrazol-5-yl)furan-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[5-(1-methyltetrazol-5-yl)furan-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 400.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[5-(1-methyltetrazol-5-yl)furan-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11632716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).