3-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide

C14H13FN4O2 — CID 68866534

IUPAC3-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide
SMILESCN1CCN=C1c1ccc(-c2cc(C(N)=O)on2)c(F)c1
InChIInChI=1S/C14H13FN4O2/c1-19-5-4-17-14(19)8-2-3-9(10(15)6-8)11-7-12(13(16)20)21-18-11/h2-3,6-7H,4-5H2,1H3,(H2,16,20)
InChIKeyXEOMWOLRGWHSBR-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.27
Rot. Bonds3

About 3-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide

3-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 68866534) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is 3-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID68866534
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name3-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide
SMILESCN1CCN=C1c1ccc(-c2cc(C(N)=O)on2)c(F)c1
InChIInChI=1S/C14H13FN4O2/c1-19-5-4-17-14(19)8-2-3-9(10(15)6-8)11-7-12(13(16)20)21-18-11/h2-3,6-7H,4-5H2,1H3,(H2,16,20)
InChIKeyXEOMWOLRGWHSBR-UHFFFAOYSA-N
XLogP1.27
TPSA84.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide (CID 68866534) is 3-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide is CN1CCN=C1c1ccc(-c2cc(C(N)=O)on2)c(F)c1.
What is the InChIKey of 3-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is XEOMWOLRGWHSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c1-19-5-4-17-14(19)8-2-3-9(10(15)6-8)11-7-12(13(16)20)21-18-11/h2-3,6-7H,4-5H2,1H3,(H2,16,20).
What are the key properties of 3-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide?
3-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 288.28 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 68866534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).