4-[(2-fluorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide

C20H17FN4O3 — CID 19492833

IUPAC4-[(2-fluorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2nc3ccccc3n2C)c1COc1ccccc1F
InChIInChI=1S/C20H17FN4O3/c1-12-13(11-27-17-10-6-3-7-14(17)21)18(24-28-12)19(26)23-20-22-15-8-4-5-9-16(15)25(20)2/h3-10H,11H2,1-2H3,(H,22,23,26)
InChIKeyUNQAZPPUPVHSNK-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.84
Rot. Bonds5

About 4-[(2-fluorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide

4-[(2-fluorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 19492833) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is 4-[(2-fluorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2-fluorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID19492833
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name4-[(2-fluorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2nc3ccccc3n2C)c1COc1ccccc1F
InChIInChI=1S/C20H17FN4O3/c1-12-13(11-27-17-10-6-3-7-14(17)21)18(24-28-12)19(26)23-20-22-15-8-4-5-9-16(15)25(20)2/h3-10H,11H2,1-2H3,(H,22,23,26)
InChIKeyUNQAZPPUPVHSNK-UHFFFAOYSA-N
XLogP3.84
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-fluorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19492552
4-[(4-chlorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19443664
4-[(2-fluorophenoxy)methyl]-5-methyl-N-phenyl-1,2-oxazole-3-carboxamide
CID 19490191
4-[(3,4-dimethylphenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19445012
4-[(4-fluorophenoxy)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19445387
4-[(2-fluorophenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide
CID 19490221
4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 19492841
N-cycloheptyl-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492794
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19490246
4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 19490314
4-[(2,4-difluorophenoxy)methyl]-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19483878
4-[(2-methoxyphenoxy)methyl]-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-3-carboxamide
CID 19442830

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(2-fluorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide (CID 19492833) is 4-[(2-fluorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(2-fluorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(2-fluorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2nc3ccccc3n2C)c1COc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is UNQAZPPUPVHSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-12-13(11-27-17-10-6-3-7-14(17)21)18(24-28-12)19(26)23-20-22-15-8-4-5-9-16(15)25(20)2/h3-10H,11H2,1-2H3,(H,22,23,26).
What are the key properties of 4-[(2-fluorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide?
4-[(2-fluorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19492833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).