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

C19H17FN6O3 — CID 175026021

IUPACN-[[(5S)-3-[3-fluoro-4-[(4S)-4-pyridin-4-yltriazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc([C@@]3(c4ccncc4)C=NN=N3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H17FN6O3/c1-12(27)22-9-15-10-26(18(28)29-15)14-2-3-16(17(20)8-14)19(11-23-25-24-19)13-4-6-21-7-5-13/h2-8,11,15H,9-10H2,1H3,(H,22,27)/t15-,19-/m0/s1
InChIKeyNRUDFUIFISEJGD-KXBFYZLASA-N
MW396.38 g/mol
LogP2.38
Rot. Bonds5

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

N-[[(5S)-3-[3-fluoro-4-[(4S)-4-pyridin-4-yltriazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 175026021) has the molecular formula C19H17FN6O3 and a molecular weight of 396.38 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[(4S)-4-pyridin-4-yltriazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[(4S)-4-pyridin-4-yltriazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID175026021
Molecular FormulaC19H17FN6O3
Molecular Weight396.38 g/mol
Exact Mass396.13
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[(4S)-4-pyridin-4-yltriazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc([C@@]3(c4ccncc4)C=NN=N3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H17FN6O3/c1-12(27)22-9-15-10-26(18(28)29-15)14-2-3-16(17(20)8-14)19(11-23-25-24-19)13-4-6-21-7-5-13/h2-8,11,15H,9-10H2,1H3,(H,22,27)/t15-,19-/m0/s1
InChIKeyNRUDFUIFISEJGD-KXBFYZLASA-N
XLogP2.38
TPSA108.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(5S)-3-[3-fluoro-4-[(4S)-4-pyridin-4-yltriazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid
CID 10286662
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045463
N-[[(5S)-3-[3-fluoro-4-[5-(3-pyridin-4-ylpropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045433
N-[[3-(3-chloro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 19418145
N-[[(5S)-3-[4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane
CID 158936286
N-[[(5S)-3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11290525
N-[[3-[4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142224217
N-[[(5S)-3-[3-fluoro-4-(4-fluoro-1,1-dihydroxy-2,3-dihydrothiopyran-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69356794

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(4S)-4-pyridin-4-yltriazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(4S)-4-pyridin-4-yltriazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 175026021) is N-[[(5S)-3-[3-fluoro-4-[(4S)-4-pyridin-4-yltriazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[(4S)-4-pyridin-4-yltriazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[(4S)-4-pyridin-4-yltriazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc([C@@]3(c4ccncc4)C=NN=N3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[(4S)-4-pyridin-4-yltriazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is NRUDFUIFISEJGD-KXBFYZLASA-N. The full InChI is InChI=1S/C19H17FN6O3/c1-12(27)22-9-15-10-26(18(28)29-15)14-2-3-16(17(20)8-14)19(11-23-25-24-19)13-4-6-21-7-5-13/h2-8,11,15H,9-10H2,1H3,(H,22,27)/t15-,19-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[(4S)-4-pyridin-4-yltriazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[(4S)-4-pyridin-4-yltriazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 396.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[(4S)-4-pyridin-4-yltriazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 175026021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).