2-amino-5-[6-fluoro-3-(1,3-oxazol-5-yl)cyclohexa-1,3-dien-1-yl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one

C19H15F4N5O2 — CID 162610559

IUPAC2-amino-5-[6-fluoro-3-(1,3-oxazol-5-yl)cyclohexa-1,3-dien-1-yl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
SMILESCN1C(=O)C(C2=CC(c3cnco3)=CCC2F)(c2ccnc(C(F)(F)F)c2)N=C1N
InChIInChI=1S/C19H15F4N5O2/c1-28-16(29)18(27-17(28)24,11-4-5-26-15(7-11)19(21,22)23)12-6-10(2-3-13(12)20)14-8-25-9-30-14/h2,4-9,13H,3H2,1H3,(H2,24,27)
InChIKeySYSZUZVUCPSJEL-UHFFFAOYSA-N
MW421.35 g/mol
LogP2.82
Rot. Bonds3

About 2-amino-5-[6-fluoro-3-(1,3-oxazol-5-yl)cyclohexa-1,3-dien-1-yl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one

2-amino-5-[6-fluoro-3-(1,3-oxazol-5-yl)cyclohexa-1,3-dien-1-yl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one (PubChem CID 162610559) has the molecular formula C19H15F4N5O2 and a molecular weight of 421.35 g/mol. Its IUPAC name is 2-amino-5-[6-fluoro-3-(1,3-oxazol-5-yl)cyclohexa-1,3-dien-1-yl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[6-fluoro-3-(1,3-oxazol-5-yl)cyclohexa-1,3-dien-1-yl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
PubChem CID162610559
Molecular FormulaC19H15F4N5O2
Molecular Weight421.35 g/mol
Exact Mass421.12
IUPAC Name2-amino-5-[6-fluoro-3-(1,3-oxazol-5-yl)cyclohexa-1,3-dien-1-yl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
SMILESCN1C(=O)C(C2=CC(c3cnco3)=CCC2F)(c2ccnc(C(F)(F)F)c2)N=C1N
InChIInChI=1S/C19H15F4N5O2/c1-28-16(29)18(27-17(28)24,11-4-5-26-15(7-11)19(21,22)23)12-6-10(2-3-13(12)20)14-8-25-9-30-14/h2,4-9,13H,3H2,1H3,(H2,24,27)
InChIKeySYSZUZVUCPSJEL-UHFFFAOYSA-N
XLogP2.82
TPSA97.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[6-fluoro-3-(1,3-oxazol-5-yl)cyclohexa-1,3-dien-1-yl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one?
The IUPAC name of 2-amino-5-[6-fluoro-3-(1,3-oxazol-5-yl)cyclohexa-1,3-dien-1-yl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one (CID 162610559) is 2-amino-5-[6-fluoro-3-(1,3-oxazol-5-yl)cyclohexa-1,3-dien-1-yl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-[6-fluoro-3-(1,3-oxazol-5-yl)cyclohexa-1,3-dien-1-yl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-[6-fluoro-3-(1,3-oxazol-5-yl)cyclohexa-1,3-dien-1-yl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one is CN1C(=O)C(C2=CC(c3cnco3)=CCC2F)(c2ccnc(C(F)(F)F)c2)N=C1N.
What is the InChIKey of 2-amino-5-[6-fluoro-3-(1,3-oxazol-5-yl)cyclohexa-1,3-dien-1-yl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one?
The InChIKey is SYSZUZVUCPSJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N5O2/c1-28-16(29)18(27-17(28)24,11-4-5-26-15(7-11)19(21,22)23)12-6-10(2-3-13(12)20)14-8-25-9-30-14/h2,4-9,13H,3H2,1H3,(H2,24,27).
What are the key properties of 2-amino-5-[6-fluoro-3-(1,3-oxazol-5-yl)cyclohexa-1,3-dien-1-yl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one?
2-amino-5-[6-fluoro-3-(1,3-oxazol-5-yl)cyclohexa-1,3-dien-1-yl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one has a molecular weight of 421.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[6-fluoro-3-(1,3-oxazol-5-yl)cyclohexa-1,3-dien-1-yl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one is sourced from PubChem (CID 162610559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).