N-[[(5R)-3-[4-[5-[(1S)-1-aminoethyl]-1,3,4-thiadiazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C16H18FN5O3S — CID 57234106

IUPACN-[[(5R)-3-[4-[5-[(1S)-1-aminoethyl]-1,3,4-thiadiazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CN(c2ccc(-c3nnc([C@H](C)N)s3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H18FN5O3S/c1-8(18)14-20-21-15(26-14)12-4-3-10(5-13(12)17)22-7-11(25-16(22)24)6-19-9(2)23/h3-5,8,11H,6-7,18H2,1-2H3,(H,19,23)/t8-,11+/m0/s1
InChIKeySZAALXLCNVEBTG-GZMMTYOYSA-N
MW379.42 g/mol
LogP1.83
Rot. Bonds5

About N-[[(5R)-3-[4-[5-[(1S)-1-aminoethyl]-1,3,4-thiadiazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5R)-3-[4-[5-[(1S)-1-aminoethyl]-1,3,4-thiadiazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 57234106) has the molecular formula C16H18FN5O3S and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[[(5R)-3-[4-[5-[(1S)-1-aminoethyl]-1,3,4-thiadiazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5R)-3-[4-[5-[(1S)-1-aminoethyl]-1,3,4-thiadiazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID57234106
Molecular FormulaC16H18FN5O3S
Molecular Weight379.42 g/mol
Exact Mass379.11
IUPAC NameN-[[(5R)-3-[4-[5-[(1S)-1-aminoethyl]-1,3,4-thiadiazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CN(c2ccc(-c3nnc([C@H](C)N)s3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H18FN5O3S/c1-8(18)14-20-21-15(26-14)12-4-3-10(5-13(12)17)22-7-11(25-16(22)24)6-19-9(2)23/h3-5,8,11H,6-7,18H2,1-2H3,(H,19,23)/t8-,11+/m0/s1
InChIKeySZAALXLCNVEBTG-GZMMTYOYSA-N
XLogP1.83
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67575331
N-[[3-[3-fluoro-4-[5-[3-(methoxyamino)but-2-enyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57150966
N-[[(5S)-3-[3-fluoro-4-[5-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54267116
N-[[(5S)-3-[3-fluoro-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 54499771
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
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
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
2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3-oxazole-4-carboxamide
CID 142682767
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[(5S)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 139995298

Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-[4-[5-[(1S)-1-aminoethyl]-1,3,4-thiadiazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5R)-3-[4-[5-[(1S)-1-aminoethyl]-1,3,4-thiadiazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 57234106) is N-[[(5R)-3-[4-[5-[(1S)-1-aminoethyl]-1,3,4-thiadiazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5R)-3-[4-[5-[(1S)-1-aminoethyl]-1,3,4-thiadiazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5R)-3-[4-[5-[(1S)-1-aminoethyl]-1,3,4-thiadiazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@@H]1CN(c2ccc(-c3nnc([C@H](C)N)s3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5R)-3-[4-[5-[(1S)-1-aminoethyl]-1,3,4-thiadiazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is SZAALXLCNVEBTG-GZMMTYOYSA-N. The full InChI is InChI=1S/C16H18FN5O3S/c1-8(18)14-20-21-15(26-14)12-4-3-10(5-13(12)17)22-7-11(25-16(22)24)6-19-9(2)23/h3-5,8,11H,6-7,18H2,1-2H3,(H,19,23)/t8-,11+/m0/s1.
What are the key properties of N-[[(5R)-3-[4-[5-[(1S)-1-aminoethyl]-1,3,4-thiadiazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5R)-3-[4-[5-[(1S)-1-aminoethyl]-1,3,4-thiadiazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 379.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-[4-[5-[(1S)-1-aminoethyl]-1,3,4-thiadiazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 57234106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).