3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide

C18H21FN4O2 — CID 131927508

IUPAC3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide
SMILESCC(C)Cc1cc(CNC(=O)CCc2nc3ccc(F)cc3[nH]2)on1
InChIInChI=1S/C18H21FN4O2/c1-11(2)7-13-9-14(25-23-13)10-20-18(24)6-5-17-21-15-4-3-12(19)8-16(15)22-17/h3-4,8-9,11H,5-7,10H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyJIICZGKQBJPQQF-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.14
Rot. Bonds7

About 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide

3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide (PubChem CID 131927508) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide
PubChem CID131927508
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide
SMILESCC(C)Cc1cc(CNC(=O)CCc2nc3ccc(F)cc3[nH]2)on1
InChIInChI=1S/C18H21FN4O2/c1-11(2)7-13-9-14(25-23-13)10-20-18(24)6-5-17-21-15-4-3-12(19)8-16(15)22-17/h3-4,8-9,11H,5-7,10H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyJIICZGKQBJPQQF-UHFFFAOYSA-N
XLogP3.14
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide
CID 131895763
3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 74240102
(3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide
CID 125007278
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide
CID 110085812
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide
CID 119885395
3-(1H-benzimidazol-2-yl)-N-[(5-fluoro-1-benzofuran-2-yl)methyl]propanamide
CID 130245379
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride
CID 119885402
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119885358
N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-(6-fluoro-1H-benzimidazol-2-yl)propanamide
CID 50948697
1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 154864189
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119898334
(2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide
CID 119898385

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide?
The IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide (CID 131927508) is 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide.
What is the SMILES notation for 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide?
The canonical SMILES for 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide is CC(C)Cc1cc(CNC(=O)CCc2nc3ccc(F)cc3[nH]2)on1.
What is the InChIKey of 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide?
The InChIKey is JIICZGKQBJPQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-11(2)7-13-9-14(25-23-13)10-20-18(24)6-5-17-21-15-4-3-12(19)8-16(15)22-17/h3-4,8-9,11H,5-7,10H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide?
3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide has a molecular weight of 344.39 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide is sourced from PubChem (CID 131927508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).