(5S)-5-[[4-[3-[(5-fluoro-4-methylpyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one

C19H19FN6O2 — CID 118208940

IUPAC(5S)-5-[[4-[3-[(5-fluoro-4-methylpyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCc1cc(Nc2ncc(F)c(C)n2)cc(-c2cnn(C[C@@H]3CNC(=O)O3)c2)c1
InChIInChI=1S/C19H19FN6O2/c1-11-3-13(5-15(4-11)25-18-21-8-17(20)12(2)24-18)14-6-23-26(9-14)10-16-7-22-19(27)28-16/h3-6,8-9,16H,7,10H2,1-2H3,(H,22,27)(H,21,24,25)/t16-/m0/s1
InChIKeyJZQPPGGQCFABOM-INIZCTEOSA-N
MW382.40 g/mol
LogP2.95
Rot. Bonds5

About (5S)-5-[[4-[3-[(5-fluoro-4-methylpyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one

(5S)-5-[[4-[3-[(5-fluoro-4-methylpyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 118208940) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is (5S)-5-[[4-[3-[(5-fluoro-4-methylpyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[4-[3-[(5-fluoro-4-methylpyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID118208940
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name(5S)-5-[[4-[3-[(5-fluoro-4-methylpyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCc1cc(Nc2ncc(F)c(C)n2)cc(-c2cnn(C[C@@H]3CNC(=O)O3)c2)c1
InChIInChI=1S/C19H19FN6O2/c1-11-3-13(5-15(4-11)25-18-21-8-17(20)12(2)24-18)14-6-23-26(9-14)10-16-7-22-19(27)28-16/h3-6,8-9,16H,7,10H2,1-2H3,(H,22,27)(H,21,24,25)/t16-/m0/s1
InChIKeyJZQPPGGQCFABOM-INIZCTEOSA-N
XLogP2.95
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (5S)-5-[[4-[3-[(5-fluoro-4-methylpyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one 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

(5S)-5-[[4-[3-[[4-(difluoromethyl)pyrimidin-2-yl]amino]-5-methylphenyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 118208970
(5S)-5-[[4-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 72706611
5-[[4-[3-[(4-cyclopropylpyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 72706807
5-[[4-[3-[[4-(difluoromethyl)pyrimidin-2-yl]amino]-5-methylphenyl]pyrazol-1-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 118208578
5-methyl-4-[[4-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 118208468
(2S)-2-[[4-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyrazol-1-yl]methyl]oxan-3-ol
CID 118209015
3-[4-[3-[(5-chloro-4-methylpyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]-2-hydroxypropanoic acid
CID 135340611
6-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazinan-2-one
CID 123794786
N-[2-[4-[3-[[4-(difluoromethyl)pyrimidin-2-yl]amino]-5-methylphenyl]pyrazol-1-yl]ethyl]cyclopropanecarboxamide
CID 118208660
(2S)-2-hydroxy-3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide
CID 140679212
1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]pyrazole-4-carboxylic acid
CID 43565318
2-hydroxy-3-[4-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyrazol-1-yl]propanamide
CID 118208860

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[4-[3-[(5-fluoro-4-methylpyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[[4-[3-[(5-fluoro-4-methylpyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one (CID 118208940) is (5S)-5-[[4-[3-[(5-fluoro-4-methylpyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[[4-[3-[(5-fluoro-4-methylpyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[[4-[3-[(5-fluoro-4-methylpyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one is Cc1cc(Nc2ncc(F)c(C)n2)cc(-c2cnn(C[C@@H]3CNC(=O)O3)c2)c1.
What is the InChIKey of (5S)-5-[[4-[3-[(5-fluoro-4-methylpyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is JZQPPGGQCFABOM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-11-3-13(5-15(4-11)25-18-21-8-17(20)12(2)24-18)14-6-23-26(9-14)10-16-7-22-19(27)28-16/h3-6,8-9,16H,7,10H2,1-2H3,(H,22,27)(H,21,24,25)/t16-/m0/s1.
What are the key properties of (5S)-5-[[4-[3-[(5-fluoro-4-methylpyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one?
(5S)-5-[[4-[3-[(5-fluoro-4-methylpyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 382.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[4-[3-[(5-fluoro-4-methylpyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 118208940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).