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

C17H16FN7O4 — CID 142682717

IUPACN-[[3-[3-fluoro-4-[4-(1-methyltetrazol-5-yl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3nc(-c4nnnn4C)co3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H16FN7O4/c1-9(26)19-6-11-7-25(17(27)29-11)10-3-4-12(13(18)5-10)16-20-14(8-28-16)15-21-22-23-24(15)2/h3-5,8,11H,6-7H2,1-2H3,(H,19,26)
InChIKeyGHBHJZSYXUIKOL-UHFFFAOYSA-N
MW401.36 g/mol
LogP1.13
Rot. Bonds5

About 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

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 (PubChem CID 142682717) has the molecular formula C17H16FN7O4 and a molecular weight of 401.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-[4-(1-methyltetrazol-5-yl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID142682717
Molecular FormulaC17H16FN7O4
Molecular Weight401.36 g/mol
Exact Mass401.12
IUPAC NameN-[[3-[3-fluoro-4-[4-(1-methyltetrazol-5-yl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3nc(-c4nnnn4C)co3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H16FN7O4/c1-9(26)19-6-11-7-25(17(27)29-11)10-3-4-12(13(18)5-10)16-20-14(8-28-16)15-21-22-23-24(15)2/h3-5,8,11H,6-7H2,1-2H3,(H,19,26)
InChIKeyGHBHJZSYXUIKOL-UHFFFAOYSA-N
XLogP1.13
TPSA128.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxamide
CID 142682767
ethyl 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxylate
CID 142682734
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-[[3-[3-fluoro-4-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274218
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-[2-fluoro-4-[5-[(methoxycarbonylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1,3-oxazole-4-carboxylate
CID 142682714
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-[[(5S)-3-[3-fluoro-4-[4-[3-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11555316
3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 72791370
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)NCC1CN(c2ccc(-c3nc(-c4nnnn4C)co3)c(F)c2)C(=O)O1.
What is the InChIKey of 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?
The InChIKey is GHBHJZSYXUIKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN7O4/c1-9(26)19-6-11-7-25(17(27)29-11)10-3-4-12(13(18)5-10)16-20-14(8-28-16)15-21-22-23-24(15)2/h3-5,8,11H,6-7H2,1-2H3,(H,19,26).
What are the key properties of 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?
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 has a molecular weight of 401.36 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142682717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).