3-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one

C18H18FN5O3S — CID 171836342

IUPAC3-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one
SMILESCOCCn1cc(Nc2nc(-c3ccc(N4CCOC4=O)cc3F)cs2)cn1
InChIInChI=1S/C18H18FN5O3S/c1-26-6-4-23-10-12(9-20-23)21-17-22-16(11-28-17)14-3-2-13(8-15(14)19)24-5-7-27-18(24)25/h2-3,8-11H,4-7H2,1H3,(H,21,22)
InChIKeyHZGKDWUNDOWPCX-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.49
Rot. Bonds7

About 3-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one

3-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 171836342) has the molecular formula C18H18FN5O3S and a molecular weight of 403.44 g/mol. Its IUPAC name is 3-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one
PubChem CID171836342
Molecular FormulaC18H18FN5O3S
Molecular Weight403.44 g/mol
Exact Mass403.11
IUPAC Name3-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one
SMILESCOCCn1cc(Nc2nc(-c3ccc(N4CCOC4=O)cc3F)cs2)cn1
InChIInChI=1S/C18H18FN5O3S/c1-26-6-4-23-10-12(9-20-23)21-17-22-16(11-28-17)14-3-2-13(8-15(14)19)24-5-7-27-18(24)25/h2-3,8-11H,4-7H2,1H3,(H,21,22)
InChIKeyHZGKDWUNDOWPCX-UHFFFAOYSA-N
XLogP3.49
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one (CID 171836342) is 3-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one is COCCn1cc(Nc2nc(-c3ccc(N4CCOC4=O)cc3F)cs2)cn1.
What is the InChIKey of 3-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is HZGKDWUNDOWPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3S/c1-26-6-4-23-10-12(9-20-23)21-17-22-16(11-28-17)14-3-2-13(8-15(14)19)24-5-7-27-18(24)25/h2-3,8-11H,4-7H2,1H3,(H,21,22).
What are the key properties of 3-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one?
3-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 403.44 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 171836342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).