N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C22H22FN3O3 — CID 45166028

IUPACN-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC2Cc3cc(F)cc(-c4ccccn4)c3O2)no1
InChIInChI=1S/C22H22FN3O3/c1-13(2)7-16-11-20(26-29-16)22(27)25-12-17-9-14-8-15(23)10-18(21(14)28-17)19-5-3-4-6-24-19/h3-6,8,10-11,13,17H,7,9,12H2,1-2H3,(H,25,27)
InChIKeyTZBSKIVVRCJYAT-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.81
Rot. Bonds6

About N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 45166028) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID45166028
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC2Cc3cc(F)cc(-c4ccccn4)c3O2)no1
InChIInChI=1S/C22H22FN3O3/c1-13(2)7-16-11-20(26-29-16)22(27)25-12-17-9-14-8-15(23)10-18(21(14)28-17)19-5-3-4-6-24-19/h3-6,8,10-11,13,17H,7,9,12H2,1-2H3,(H,25,27)
InChIKeyTZBSKIVVRCJYAT-UHFFFAOYSA-N
XLogP3.81
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

ML381
CID 42519285
5-(2-methoxyphenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 3236616
Dafadine-A
CID 24790866
6-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-isopropyl-nicotinamide
CID 42629329
N-ethyl-6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
CID 42630292
6-[3-(2-Fluoro-4-methyl-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-isopropyl-nicotinamide
CID 57520477
6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 68443348
6-[[3-(5-fluoropiperidin-2-yl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 90683546
5-(3-methoxyphenyl)-N-3-pyridinyl-3-isoxazolecarboxamide
CID 4519032
5-[(2,4-difluorophenoxy)methyl]-N-[1-methyl-2-(3-pyridinyl)ethyl]-3-isoxazolecarboxamide
CID 24790118
N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 24791099
5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1S)-1-(pyridin-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 24791252

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 45166028) is N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CC(C)Cc1cc(C(=O)NCC2Cc3cc(F)cc(-c4ccccn4)c3O2)no1.
What is the InChIKey of N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is TZBSKIVVRCJYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-13(2)7-16-11-20(26-29-16)22(27)25-12-17-9-14-8-15(23)10-18(21(14)28-17)19-5-3-4-6-24-19/h3-6,8,10-11,13,17H,7,9,12H2,1-2H3,(H,25,27).
What are the key properties of N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45166028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).