N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1H-imidazole-5-carboxamide

C14H11FN4O2 — CID 91837908

IUPACN-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCc1cc(-c2cccc(F)c2)no1)c1cnc[nH]1
InChIInChI=1S/C14H11FN4O2/c15-10-3-1-2-9(4-10)12-5-11(21-19-12)6-17-14(20)13-7-16-8-18-13/h1-5,7-8H,6H2,(H,16,18)(H,17,20)
InChIKeyKPUMFHSXFYKKHY-UHFFFAOYSA-N
MW286.27 g/mol
LogP2.13
Rot. Bonds4

About N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1H-imidazole-5-carboxamide

N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1H-imidazole-5-carboxamide (PubChem CID 91837908) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1H-imidazole-5-carboxamide
PubChem CID91837908
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC NameN-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCc1cc(-c2cccc(F)c2)no1)c1cnc[nH]1
InChIInChI=1S/C14H11FN4O2/c15-10-3-1-2-9(4-10)12-5-11(21-19-12)6-17-14(20)13-7-16-8-18-13/h1-5,7-8H,6H2,(H,16,18)(H,17,20)
InChIKeyKPUMFHSXFYKKHY-UHFFFAOYSA-N
XLogP2.13
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1H-imidazole-5-carboxamide (CID 91837908) is N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1H-imidazole-5-carboxamide is O=C(NCc1cc(-c2cccc(F)c2)no1)c1cnc[nH]1.
What is the InChIKey of N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1H-imidazole-5-carboxamide?
The InChIKey is KPUMFHSXFYKKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c15-10-3-1-2-9(4-10)12-5-11(21-19-12)6-17-14(20)13-7-16-8-18-13/h1-5,7-8H,6H2,(H,16,18)(H,17,20).
What are the key properties of N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1H-imidazole-5-carboxamide?
N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1H-imidazole-5-carboxamide has a molecular weight of 286.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 91837908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).