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

C20H18FN5O3 — CID 44555306

IUPAC2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-2-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1ncco1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C20H18FN5O3/c21-16-3-1-14(2-4-16)13-25-8-9-26(20(25)28)17-11-15(5-6-22-17)19(27)24-12-18-23-7-10-29-18/h1-7,10-11H,8-9,12-13H2,(H,24,27)
InChIKeyBSWMGWCVLHFPBT-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.58
Rot. Bonds6

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

2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 44555306) 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-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-2-ylmethyl)pyridine-4-carboxamide
PubChem CID44555306
Molecular FormulaC20H18FN5O3
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-2-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1ncco1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C20H18FN5O3/c21-16-3-1-14(2-4-16)13-25-8-9-26(20(25)28)17-11-15(5-6-22-17)19(27)24-12-18-23-7-10-29-18/h1-7,10-11H,8-9,12-13H2,(H,24,27)
InChIKeyBSWMGWCVLHFPBT-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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-2-ylmethyl)pyridine-4-carboxamide (CID 44555306) is 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-2-ylmethyl)pyridine-4-carboxamide is O=C(NCc1ncco1)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-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is BSWMGWCVLHFPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3/c21-16-3-1-14(2-4-16)13-25-8-9-26(20(25)28)17-11-15(5-6-22-17)19(27)24-12-18-23-7-10-29-18/h1-7,10-11H,8-9,12-13H2,(H,24,27).
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-2-ylmethyl)pyridine-4-carboxamide?
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3-oxazol-2-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-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 44555306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).