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

C19H15FN4O2 — CID 46959424

IUPAC5-(4-fluorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCn1c(CNC(=O)c2ncoc2-c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C19H15FN4O2/c1-24-15-5-3-2-4-14(15)23-16(24)10-21-19(25)17-18(26-11-22-17)12-6-8-13(20)9-7-12/h2-9,11H,10H2,1H3,(H,21,25)
InChIKeyUSPRPBLIJIHKJA-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.30
Rot. Bonds4

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

5-(4-fluorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 46959424) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID46959424
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name5-(4-fluorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCn1c(CNC(=O)c2ncoc2-c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C19H15FN4O2/c1-24-15-5-3-2-4-14(15)23-16(24)10-21-19(25)17-18(26-11-22-17)12-6-8-13(20)9-7-12/h2-9,11H,10H2,1H3,(H,21,25)
InChIKeyUSPRPBLIJIHKJA-UHFFFAOYSA-N
XLogP3.30
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-oxazole-4-carboxamide (CID 46959424) is 5-(4-fluorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-oxazole-4-carboxamide is Cn1c(CNC(=O)c2ncoc2-c2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is USPRPBLIJIHKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-24-15-5-3-2-4-14(15)23-16(24)10-21-19(25)17-18(26-11-22-17)12-6-8-13(20)9-7-12/h2-9,11H,10H2,1H3,(H,21,25).
What are the key properties of 5-(4-fluorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-oxazole-4-carboxamide?
5-(4-fluorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 350.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46959424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).