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

C17H19FN4O2 — CID 56756310

IUPACN-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)c1c(C)noc1C
InChIInChI=1S/C17H19FN4O2/c1-4-22(17(23)16-10(2)21-24-11(16)3)8-7-15-19-13-6-5-12(18)9-14(13)20-15/h5-6,9H,4,7-8H2,1-3H3,(H,19,20)
InChIKeyOIZOSFBSMVLJNY-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.01
Rot. Bonds5

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

N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 56756310) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID56756310
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)c1c(C)noc1C
InChIInChI=1S/C17H19FN4O2/c1-4-22(17(23)16-10(2)21-24-11(16)3)8-7-15-19-13-6-5-12(18)9-14(13)20-15/h5-6,9H,4,7-8H2,1-3H3,(H,19,20)
InChIKeyOIZOSFBSMVLJNY-UHFFFAOYSA-N
XLogP3.01
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 56756310) is N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is CCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)c1c(C)noc1C.
What is the InChIKey of N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is OIZOSFBSMVLJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-4-22(17(23)16-10(2)21-24-11(16)3)8-7-15-19-13-6-5-12(18)9-14(13)20-15/h5-6,9H,4,7-8H2,1-3H3,(H,19,20).
What are the key properties of N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 56756310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).