2-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-1,3-oxazole-5-carboxamide

C17H19FN4O2 — CID 118775456

IUPAC2-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCCCc2nc3ccc(F)cc3[nH]2)o1
InChIInChI=1S/C17H19FN4O2/c1-3-15-20-10(2)16(24-15)17(23)19-8-4-5-14-21-12-7-6-11(18)9-13(12)22-14/h6-7,9H,3-5,8H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyVOPFQGAZTTTYAA-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.92
Rot. Bonds6

About 2-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-1,3-oxazole-5-carboxamide

2-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 118775456) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID118775456
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name2-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCCCc2nc3ccc(F)cc3[nH]2)o1
InChIInChI=1S/C17H19FN4O2/c1-3-15-20-10(2)16(24-15)17(23)19-8-4-5-14-21-12-7-6-11(18)9-13(12)22-14/h6-7,9H,3-5,8H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyVOPFQGAZTTTYAA-UHFFFAOYSA-N
XLogP2.92
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 154864189
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 70737169
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
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N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 118775456) is 2-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)NCCCc2nc3ccc(F)cc3[nH]2)o1.
What is the InChIKey of 2-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is VOPFQGAZTTTYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-3-15-20-10(2)16(24-15)17(23)19-8-4-5-14-21-12-7-6-11(18)9-13(12)22-14/h6-7,9H,3-5,8H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 2-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-1,3-oxazole-5-carboxamide?
2-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 118775456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).