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

C22H20FN3O3 — CID 45214830

IUPACN-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1ncoc1C(=O)N1CCCC1C(=O)Nc1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C22H20FN3O3/c1-14-20(29-13-24-14)22(28)26-11-3-6-19(26)21(27)25-18-5-2-4-16(12-18)15-7-9-17(23)10-8-15/h2,4-5,7-10,12-13,19H,3,6,11H2,1H3,(H,25,27)
InChIKeyALSUGJCHKKXPGE-UHFFFAOYSA-N
MW393.42 g/mol
LogP4.03
Rot. Bonds4

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

N-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 45214830) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-2-carboxamide
PubChem CID45214830
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC NameN-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1ncoc1C(=O)N1CCCC1C(=O)Nc1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C22H20FN3O3/c1-14-20(29-13-24-14)22(28)26-11-3-6-19(26)21(27)25-18-5-2-4-16(12-18)15-7-9-17(23)10-8-15/h2,4-5,7-10,12-13,19H,3,6,11H2,1H3,(H,25,27)
InChIKeyALSUGJCHKKXPGE-UHFFFAOYSA-N
XLogP4.03
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-2-carboxamide (CID 45214830) is N-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-2-carboxamide is Cc1ncoc1C(=O)N1CCCC1C(=O)Nc1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of N-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is ALSUGJCHKKXPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-14-20(29-13-24-14)22(28)26-11-3-6-19(26)21(27)25-18-5-2-4-16(12-18)15-7-9-17(23)10-8-15/h2,4-5,7-10,12-13,19H,3,6,11H2,1H3,(H,25,27).
What are the key properties of N-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-2-carboxamide?
N-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45214830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).