N-[(2-fluorophenyl)methyl]-5-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide

C22H20FN3O3 — CID 53122805

IUPACN-[(2-fluorophenyl)methyl]-5-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1ncoc1-c1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C22H20FN3O3/c23-18-10-4-1-7-15(18)13-24-21(27)19-20(29-14-25-19)16-8-2-3-9-17(16)22(28)26-11-5-6-12-26/h1-4,7-10,14H,5-6,11-13H2,(H,24,27)
InChIKeyRUUWGCDDOAQVHL-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.65
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-5-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide

N-[(2-fluorophenyl)methyl]-5-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 53122805) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID53122805
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC NameN-[(2-fluorophenyl)methyl]-5-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1ncoc1-c1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C22H20FN3O3/c23-18-10-4-1-7-15(18)13-24-21(27)19-20(29-14-25-19)16-8-2-3-9-17(16)22(28)26-11-5-6-12-26/h1-4,7-10,14H,5-6,11-13H2,(H,24,27)
InChIKeyRUUWGCDDOAQVHL-UHFFFAOYSA-N
XLogP3.65
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(azepane-1-carbonyl)phenyl]-N-(1,3-benzodioxol-5-ylmethyl)-1,3-oxazole-4-carboxamide
CID 53122961
piperidin-1-yl-[2-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122822
[2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 53031921
5-[2-(azepane-1-carbonyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]-1,3-oxazole-4-carboxamide
CID 95090581
N-[3-[benzyl(methyl)amino]propyl]-5-[2-(piperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 53122841
azepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122967
azepan-1-yl-[2-[4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122960
5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 53122998
N-[(2-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094778
4-amino-N-[(2-fluorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxamide
CID 52905826
N-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963589
N-[(2-fluorophenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102853

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide (CID 53122805) is N-[(2-fluorophenyl)methyl]-5-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide is O=C(NCc1ccccc1F)c1ncoc1-c1ccccc1C(=O)N1CCCC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is RUUWGCDDOAQVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c23-18-10-4-1-7-15(18)13-24-21(27)19-20(29-14-25-19)16-8-2-3-9-17(16)22(28)26-11-5-6-12-26/h1-4,7-10,14H,5-6,11-13H2,(H,24,27).
What are the key properties of N-[(2-fluorophenyl)methyl]-5-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
N-[(2-fluorophenyl)methyl]-5-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53122805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).