2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-4-ylmethyl)pyridine-4-carboxamide

C20H18FN5O3 — CID 44555302

IUPAC2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-4-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1cocn1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C20H18FN5O3/c21-16-3-1-14(2-4-16)11-25-7-8-26(20(25)28)18-9-15(5-6-22-18)19(27)23-10-17-12-29-13-24-17/h1-6,9,12-13H,7-8,10-11H2,(H,23,27)
InChIKeyDPALAOBRKAZAIS-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.58
Rot. Bonds6

About 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-4-ylmethyl)pyridine-4-carboxamide

2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-4-ylmethyl)pyridine-4-carboxamide (PubChem CID 44555302) has the molecular formula C20H18FN5O3 and a molecular weight of 395.39 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-4-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-4-ylmethyl)pyridine-4-carboxamide
PubChem CID44555302
Molecular FormulaC20H18FN5O3
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-4-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1cocn1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C20H18FN5O3/c21-16-3-1-14(2-4-16)11-25-7-8-26(20(25)28)18-9-15(5-6-22-18)19(27)23-10-17-12-29-13-24-17/h1-6,9,12-13H,7-8,10-11H2,(H,23,27)
InChIKeyDPALAOBRKAZAIS-UHFFFAOYSA-N
XLogP2.58
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-4-ylmethyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-4-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-4-ylmethyl)pyridine-4-carboxamide (CID 44555302) is 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-4-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-4-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-4-ylmethyl)pyridine-4-carboxamide is O=C(NCc1cocn1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-4-ylmethyl)pyridine-4-carboxamide?
The InChIKey is DPALAOBRKAZAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3/c21-16-3-1-14(2-4-16)11-25-7-8-26(20(25)28)18-9-15(5-6-22-18)19(27)23-10-17-12-29-13-24-17/h1-6,9,12-13H,7-8,10-11H2,(H,23,27).
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-4-ylmethyl)pyridine-4-carboxamide?
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-4-ylmethyl)pyridine-4-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-4-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 44555302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).