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

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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).