N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide

C22H21FN4O2 — CID 51312739

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCCn1c(CNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)nc2ccccc21
InChIInChI=1S/C22H21FN4O2/c1-2-27-18-6-4-3-5-17(18)26-20(27)14-24-21(28)11-12-22-25-13-19(29-22)15-7-9-16(23)10-8-15/h3-10,13H,2,11-12,14H2,1H3,(H,24,28)
InChIKeyLHEIFUUUKDUPDX-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.10
Rot. Bonds7

About N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 51312739) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID51312739
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCCn1c(CNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)nc2ccccc21
InChIInChI=1S/C22H21FN4O2/c1-2-27-18-6-4-3-5-17(18)26-20(27)14-24-21(28)11-12-22-25-13-19(29-22)15-7-9-16(23)10-8-15/h3-10,13H,2,11-12,14H2,1H3,(H,24,28)
InChIKeyLHEIFUUUKDUPDX-UHFFFAOYSA-N
XLogP4.10
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 134012153
N-[(2-fluorophenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17493813
N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970622
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 29494556
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propanamide
CID 134027897
N-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18160896
N-[2-(4-fluorophenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 30698610
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 24549115
N-[2-(dimethylamino)-3-methylbutyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 42940238
N-benzyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784781
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 24549102

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 51312739) is N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is CCn1c(CNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is LHEIFUUUKDUPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-2-27-18-6-4-3-5-17(18)26-20(27)14-24-21(28)11-12-22-25-13-19(29-22)15-7-9-16(23)10-8-15/h3-10,13H,2,11-12,14H2,1H3,(H,24,28).
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 392.43 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 51312739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).