2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one

C19H14F3N5O2 — CID 146624692

IUPAC2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cc(C(F)F)ccn2)(c2cc(-c3ccon3)ccc2F)N=C1N
InChIInChI=1S/C19H14F3N5O2/c1-27-17(28)19(25-18(27)23,15-9-11(16(21)22)4-6-24-15)12-8-10(2-3-13(12)20)14-5-7-29-26-14/h2-9,16H,1H3,(H2,23,25)
InChIKeyABHXQSAXNBXCJI-UHFFFAOYSA-N
MW401.35 g/mol
LogP2.84
Rot. Bonds4

About 2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one

2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one (PubChem CID 146624692) has the molecular formula C19H14F3N5O2 and a molecular weight of 401.35 g/mol. Its IUPAC name is 2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one
PubChem CID146624692
Molecular FormulaC19H14F3N5O2
Molecular Weight401.35 g/mol
Exact Mass401.11
IUPAC Name2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cc(C(F)F)ccn2)(c2cc(-c3ccon3)ccc2F)N=C1N
InChIInChI=1S/C19H14F3N5O2/c1-27-17(28)19(25-18(27)23,15-9-11(16(21)22)4-6-24-15)12-8-10(2-3-13(12)20)14-5-7-29-26-14/h2-9,16H,1H3,(H2,23,25)
InChIKeyABHXQSAXNBXCJI-UHFFFAOYSA-N
XLogP2.84
TPSA97.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one (CID 146624692) is 2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one is CN1C(=O)C(c2cc(C(F)F)ccn2)(c2cc(-c3ccon3)ccc2F)N=C1N.
What is the InChIKey of 2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one?
The InChIKey is ABHXQSAXNBXCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O2/c1-27-17(28)19(25-18(27)23,15-9-11(16(21)22)4-6-24-15)12-8-10(2-3-13(12)20)14-5-7-29-26-14/h2-9,16H,1H3,(H2,23,25).
What are the key properties of 2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one?
2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one has a molecular weight of 401.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 146624692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).