3-[5-fluoro-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C16H17FN4O3 — CID 130285211

IUPAC3-[5-fluoro-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOc1ccc([C@H](C)Nc2ncc(F)c(N3CCOC3=O)n2)cc1
InChIInChI=1S/C16H17FN4O3/c1-10(11-3-5-12(23-2)6-4-11)19-15-18-9-13(17)14(20-15)21-7-8-24-16(21)22/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,20)/t10-/m0/s1
InChIKeyXBTXSURSIIWHIC-JTQLQIEISA-N
MW332.34 g/mol
LogP2.75
Rot. Bonds5

About 3-[5-fluoro-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

3-[5-fluoro-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 130285211) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is 3-[5-fluoro-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-fluoro-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID130285211
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name3-[5-fluoro-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOc1ccc([C@H](C)Nc2ncc(F)c(N3CCOC3=O)n2)cc1
InChIInChI=1S/C16H17FN4O3/c1-10(11-3-5-12(23-2)6-4-11)19-15-18-9-13(17)14(20-15)21-7-8-24-16(21)22/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,20)/t10-/m0/s1
InChIKeyXBTXSURSIIWHIC-JTQLQIEISA-N
XLogP2.75
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-fluoro-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-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

3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130284682
3-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one
CID 86730264
3-[5-fluoro-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 89489887
3-[2-[[(1S)-1-(4-tert-butylphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285288
3-[2-[[(1S)-1-[5-(3-chloro-4-fluorophenoxy)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130284695
3-[2-[1-[4-(2-methyl-4-pyridinyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285433
(4S)-3-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490149
3-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285907
4-[1-[4-[(1S)-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]phenyl]propyl]piperazine-1-carboxylic acid
CID 139507676
7-[1-[4-(chloromethyl)phenyl]ethylamino]-1-propan-2-yl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
CID 146216143
(4R)-3-[2-[[(1S)-1-(4-bromo-3-fluorophenyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxypropyl]-1,3-oxazolidin-2-one
CID 134274481
9-cyclopentyl-2-[1-(4-methoxyphenyl)ethylamino]-5,7,7-trimethyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 44612280

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-fluoro-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 130285211) is 3-[5-fluoro-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-fluoro-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-fluoro-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is COc1ccc([C@H](C)Nc2ncc(F)c(N3CCOC3=O)n2)cc1.
What is the InChIKey of 3-[5-fluoro-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is XBTXSURSIIWHIC-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17FN4O3/c1-10(11-3-5-12(23-2)6-4-11)19-15-18-9-13(17)14(20-15)21-7-8-24-16(21)22/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,20)/t10-/m0/s1.
What are the key properties of 3-[5-fluoro-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
3-[5-fluoro-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 332.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 130285211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).