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

C19H14ClF2N5O2 — CID 153495921

IUPAC2-amino-5-[3-chloro-5-(1,3-oxazol-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cc(Cl)cc(-c3cnco3)c2)(c2cncc(C(F)F)c2)N=C1N
InChIInChI=1S/C19H14ClF2N5O2/c1-27-17(28)19(26-18(27)23,13-3-11(16(21)22)6-24-7-13)12-2-10(4-14(20)5-12)15-8-25-9-29-15/h2-9,16H,1H3,(H2,23,26)
InChIKeyRMXBFXRJHXBZJZ-UHFFFAOYSA-N
MW417.80 g/mol
LogP3.36
Rot. Bonds4

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

2-amino-5-[3-chloro-5-(1,3-oxazol-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one (PubChem CID 153495921) has the molecular formula C19H14ClF2N5O2 and a molecular weight of 417.80 g/mol. Its IUPAC name is 2-amino-5-[3-chloro-5-(1,3-oxazol-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-chloro-5-(1,3-oxazol-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one
PubChem CID153495921
Molecular FormulaC19H14ClF2N5O2
Molecular Weight417.80 g/mol
Exact Mass417.08
IUPAC Name2-amino-5-[3-chloro-5-(1,3-oxazol-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cc(Cl)cc(-c3cnco3)c2)(c2cncc(C(F)F)c2)N=C1N
InChIInChI=1S/C19H14ClF2N5O2/c1-27-17(28)19(26-18(27)23,13-3-11(16(21)22)6-24-7-13)12-2-10(4-14(20)5-12)15-8-25-9-29-15/h2-9,16H,1H3,(H2,23,26)
InChIKeyRMXBFXRJHXBZJZ-UHFFFAOYSA-N
XLogP3.36
TPSA97.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.80
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-chloro-5-(1,3-oxazol-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-chloro-5-(1,3-oxazol-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one (CID 153495921) is 2-amino-5-[3-chloro-5-(1,3-oxazol-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-chloro-5-(1,3-oxazol-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-chloro-5-(1,3-oxazol-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one is CN1C(=O)C(c2cc(Cl)cc(-c3cnco3)c2)(c2cncc(C(F)F)c2)N=C1N.
What is the InChIKey of 2-amino-5-[3-chloro-5-(1,3-oxazol-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one?
The InChIKey is RMXBFXRJHXBZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N5O2/c1-27-17(28)19(26-18(27)23,13-3-11(16(21)22)6-24-7-13)12-2-10(4-14(20)5-12)15-8-25-9-29-15/h2-9,16H,1H3,(H2,23,26).
What are the key properties of 2-amino-5-[3-chloro-5-(1,3-oxazol-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one?
2-amino-5-[3-chloro-5-(1,3-oxazol-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one has a molecular weight of 417.80 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-chloro-5-(1,3-oxazol-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one is sourced from PubChem (CID 153495921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).