N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(2-fluoro-4-pyridinyl)-1,3-oxazole-4-carboxamide

C19H14FN5O4 — CID 66929278

IUPACN-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(2-fluoro-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1ccc(Cn2cc(NC(=O)c3ncoc3-c3ccnc(F)c3)cn2)o1
InChIInChI=1S/C19H14FN5O4/c1-11(26)15-3-2-14(29-15)9-25-8-13(7-23-25)24-19(27)17-18(28-10-22-17)12-4-5-21-16(20)6-12/h2-8,10H,9H2,1H3,(H,24,27)
InChIKeyQYNBRSKFJVVEFV-UHFFFAOYSA-N
MW395.35 g/mol
LogP3.17
Rot. Bonds6

About N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(2-fluoro-4-pyridinyl)-1,3-oxazole-4-carboxamide

N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(2-fluoro-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 66929278) has the molecular formula C19H14FN5O4 and a molecular weight of 395.35 g/mol. Its IUPAC name is N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(2-fluoro-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(2-fluoro-4-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID66929278
Molecular FormulaC19H14FN5O4
Molecular Weight395.35 g/mol
Exact Mass395.10
IUPAC NameN-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(2-fluoro-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1ccc(Cn2cc(NC(=O)c3ncoc3-c3ccnc(F)c3)cn2)o1
InChIInChI=1S/C19H14FN5O4/c1-11(26)15-3-2-14(29-15)9-25-8-13(7-23-25)24-19(27)17-18(28-10-22-17)12-4-5-21-16(20)6-12/h2-8,10H,9H2,1H3,(H,24,27)
InChIKeyQYNBRSKFJVVEFV-UHFFFAOYSA-N
XLogP3.17
TPSA116.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(2-fluoro-4-pyridinyl)-1,3-oxazole-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 N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(2-fluoro-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(2-fluoro-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 66929278) is N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(2-fluoro-4-pyridinyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(2-fluoro-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(2-fluoro-4-pyridinyl)-1,3-oxazole-4-carboxamide is CC(=O)c1ccc(Cn2cc(NC(=O)c3ncoc3-c3ccnc(F)c3)cn2)o1.
What is the InChIKey of N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(2-fluoro-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The InChIKey is QYNBRSKFJVVEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O4/c1-11(26)15-3-2-14(29-15)9-25-8-13(7-23-25)24-19(27)17-18(28-10-22-17)12-4-5-21-16(20)6-12/h2-8,10H,9H2,1H3,(H,24,27).
What are the key properties of N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(2-fluoro-4-pyridinyl)-1,3-oxazole-4-carboxamide?
N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(2-fluoro-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 395.35 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(2-fluoro-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 66929278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).