(4S)-3-(3H-benzimidazol-5-yl)-4-[2-fluoro-4-[1-(fluoromethyl)pyrazol-4-yl]phenyl]-1,3-oxazolidin-2-one

C20H15F2N5O2 — CID 172563086

IUPAC(4S)-3-(3H-benzimidazol-5-yl)-4-[2-fluoro-4-[1-(fluoromethyl)pyrazol-4-yl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2ccc(-c3cnn(CF)c3)cc2F)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H15F2N5O2/c21-10-26-8-13(7-25-26)12-1-3-15(16(22)5-12)19-9-29-20(28)27(19)14-2-4-17-18(6-14)24-11-23-17/h1-8,11,19H,9-10H2,(H,23,24)/t19-/m1/s1
InChIKeyAIQJCOGUNYDSRU-LJQANCHMSA-N
MW395.37 g/mol
LogP4.19
Rot. Bonds4

About (4S)-3-(3H-benzimidazol-5-yl)-4-[2-fluoro-4-[1-(fluoromethyl)pyrazol-4-yl]phenyl]-1,3-oxazolidin-2-one

(4S)-3-(3H-benzimidazol-5-yl)-4-[2-fluoro-4-[1-(fluoromethyl)pyrazol-4-yl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 172563086) has the molecular formula C20H15F2N5O2 and a molecular weight of 395.37 g/mol. Its IUPAC name is (4S)-3-(3H-benzimidazol-5-yl)-4-[2-fluoro-4-[1-(fluoromethyl)pyrazol-4-yl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(3H-benzimidazol-5-yl)-4-[2-fluoro-4-[1-(fluoromethyl)pyrazol-4-yl]phenyl]-1,3-oxazolidin-2-one
PubChem CID172563086
Molecular FormulaC20H15F2N5O2
Molecular Weight395.37 g/mol
Exact Mass395.12
IUPAC Name(4S)-3-(3H-benzimidazol-5-yl)-4-[2-fluoro-4-[1-(fluoromethyl)pyrazol-4-yl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2ccc(-c3cnn(CF)c3)cc2F)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H15F2N5O2/c21-10-26-8-13(7-25-26)12-1-3-15(16(22)5-12)19-9-29-20(28)27(19)14-2-4-17-18(6-14)24-11-23-17/h1-8,11,19H,9-10H2,(H,23,24)/t19-/m1/s1
InChIKeyAIQJCOGUNYDSRU-LJQANCHMSA-N
XLogP4.19
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-3-(3H-benzimidazol-5-yl)-4-[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]-1,3-oxazolidin-2-one
CID 172563095
(4S)-3-(3H-benzimidazol-5-yl)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]-1,3-oxazolidin-2-one
CID 172563092
3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one
CID 118692963
3-(3H-benzimidazol-5-yl)-4-[2-fluoro-4-[4-(trifluoromethyl)cyclooctyl]phenyl]-1,3-oxazolidin-2-one
CID 172563059
3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one
CID 67036274
3-(3H-benzimidazol-5-yl)-4-[4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one
CID 58229114
2-[(4S)-3-(3H-benzimidazol-5-yl)-2-oxo-1,3-oxazolidin-4-yl]-5-(2,2-difluoropropoxy)benzonitrile
CID 86279352
(4S)-3-(3H-benzimidazol-5-yl)-4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 50939051
3-(3H-benzimidazol-5-yl)-4-(3-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 67036307
(4S)-3-(3H-benzimidazol-5-yl)-4-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 58229168
(4S)-1-(3H-benzimidazol-5-yl)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]-2,6-difluorophenyl]azetidin-2-one
CID 170403461
(3S,4S)-1-(3H-benzimidazol-5-yl)-4-[2,6-difluoro-4-(1-methylpyrazol-4-yl)phenyl]-3-(oxetan-3-yl)azetidin-2-one
CID 170400617

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(3H-benzimidazol-5-yl)-4-[2-fluoro-4-[1-(fluoromethyl)pyrazol-4-yl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(3H-benzimidazol-5-yl)-4-[2-fluoro-4-[1-(fluoromethyl)pyrazol-4-yl]phenyl]-1,3-oxazolidin-2-one (CID 172563086) is (4S)-3-(3H-benzimidazol-5-yl)-4-[2-fluoro-4-[1-(fluoromethyl)pyrazol-4-yl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(3H-benzimidazol-5-yl)-4-[2-fluoro-4-[1-(fluoromethyl)pyrazol-4-yl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(3H-benzimidazol-5-yl)-4-[2-fluoro-4-[1-(fluoromethyl)pyrazol-4-yl]phenyl]-1,3-oxazolidin-2-one is O=C1OC[C@H](c2ccc(-c3cnn(CF)c3)cc2F)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of (4S)-3-(3H-benzimidazol-5-yl)-4-[2-fluoro-4-[1-(fluoromethyl)pyrazol-4-yl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is AIQJCOGUNYDSRU-LJQANCHMSA-N. The full InChI is InChI=1S/C20H15F2N5O2/c21-10-26-8-13(7-25-26)12-1-3-15(16(22)5-12)19-9-29-20(28)27(19)14-2-4-17-18(6-14)24-11-23-17/h1-8,11,19H,9-10H2,(H,23,24)/t19-/m1/s1.
What are the key properties of (4S)-3-(3H-benzimidazol-5-yl)-4-[2-fluoro-4-[1-(fluoromethyl)pyrazol-4-yl]phenyl]-1,3-oxazolidin-2-one?
(4S)-3-(3H-benzimidazol-5-yl)-4-[2-fluoro-4-[1-(fluoromethyl)pyrazol-4-yl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 395.37 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(3H-benzimidazol-5-yl)-4-[2-fluoro-4-[1-(fluoromethyl)pyrazol-4-yl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 172563086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).