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

C22H21FN4O3 — CID 19445387

IUPAC4-[(4-fluorophenoxy)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCCn1c(NC(=O)c2noc(C)c2COc2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C22H21FN4O3/c1-3-12-27-19-7-5-4-6-18(19)24-22(27)25-21(28)20-17(14(2)30-26-20)13-29-16-10-8-15(23)9-11-16/h4-11H,3,12-13H2,1-2H3,(H,24,25,28)
InChIKeyPIWHMWYYJUPGRN-UHFFFAOYSA-N
MW408.43 g/mol
LogP4.71
Rot. Bonds7

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

4-[(4-fluorophenoxy)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 19445387) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenoxy)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID19445387
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC Name4-[(4-fluorophenoxy)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCCn1c(NC(=O)c2noc(C)c2COc2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C22H21FN4O3/c1-3-12-27-19-7-5-4-6-18(19)24-22(27)25-21(28)20-17(14(2)30-26-20)13-29-16-10-8-15(23)9-11-16/h4-11H,3,12-13H2,1-2H3,(H,24,25,28)
InChIKeyPIWHMWYYJUPGRN-UHFFFAOYSA-N
XLogP4.71
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 54.71
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-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19492833
4-[(3,4-dimethylphenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19445012
4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19442053
4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide
CID 19445338
4-[(4-fluorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445267
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445238
N-butan-2-yl-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445363
2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 40589359
4-[(4-fluorophenoxy)methyl]-5-methyl-N-(2-phenylsulfanylphenyl)-1,2-oxazole-3-carboxamide
CID 19445270
4-[(4-methylphenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 19493010

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide (CID 19445387) is 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide is CCCn1c(NC(=O)c2noc(C)c2COc2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is PIWHMWYYJUPGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c1-3-12-27-19-7-5-4-6-18(19)24-22(27)25-21(28)20-17(14(2)30-26-20)13-29-16-10-8-15(23)9-11-16/h4-11H,3,12-13H2,1-2H3,(H,24,25,28).
What are the key properties of 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide?
4-[(4-fluorophenoxy)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 408.43 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19445387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).