5-[(2,6-difluorophenoxy)methyl]-N-(1H-indol-4-ylmethyl)-1,2-oxazole-3-carboxamide

C20H15F2N3O3 — CID 29183509

IUPAC5-[(2,6-difluorophenoxy)methyl]-N-(1H-indol-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cccc2[nH]ccc12)c1cc(COc2c(F)cccc2F)on1
InChIInChI=1S/C20H15F2N3O3/c21-15-4-2-5-16(22)19(15)27-11-13-9-18(25-28-13)20(26)24-10-12-3-1-6-17-14(12)7-8-23-17/h1-9,23H,10-11H2,(H,24,26)
InChIKeyWCBYHNXMTRXBPY-UHFFFAOYSA-N
MW383.35 g/mol
LogP3.94
Rot. Bonds6

About 5-[(2,6-difluorophenoxy)methyl]-N-(1H-indol-4-ylmethyl)-1,2-oxazole-3-carboxamide

5-[(2,6-difluorophenoxy)methyl]-N-(1H-indol-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 29183509) has the molecular formula C20H15F2N3O3 and a molecular weight of 383.35 g/mol. Its IUPAC name is 5-[(2,6-difluorophenoxy)methyl]-N-(1H-indol-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,6-difluorophenoxy)methyl]-N-(1H-indol-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID29183509
Molecular FormulaC20H15F2N3O3
Molecular Weight383.35 g/mol
Exact Mass383.11
IUPAC Name5-[(2,6-difluorophenoxy)methyl]-N-(1H-indol-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cccc2[nH]ccc12)c1cc(COc2c(F)cccc2F)on1
InChIInChI=1S/C20H15F2N3O3/c21-15-4-2-5-16(22)19(15)27-11-13-9-18(25-28-13)20(26)24-10-12-3-1-6-17-14(12)7-8-23-17/h1-9,23H,10-11H2,(H,24,26)
InChIKeyWCBYHNXMTRXBPY-UHFFFAOYSA-N
XLogP3.94
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(2,6-difluorophenoxy)methyl]-N-(1H-indol-4-ylmethyl)-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

N-(1,3-benzodioxol-5-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 24793164
N-[2-(3-chlorophenyl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 42567502
5-[(2,6-difluorophenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 24819346
N-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide
CID 62227209
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962
5-[(2,4-difluorophenoxy)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 25308523
N-(1H-indol-4-ylmethyl)propanamide
CID 176935116
N-[(2S,5R)-6-(1H-indol-4-ylmethylamino)-5-methyl-3,6-dioxohexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 160875612
N-[[3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 115955154
N-(1H-indol-4-ylmethyl)-4-phenoxybenzamide
CID 171059896
5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214004
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 66831890

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenoxy)methyl]-N-(1H-indol-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,6-difluorophenoxy)methyl]-N-(1H-indol-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 29183509) is 5-[(2,6-difluorophenoxy)methyl]-N-(1H-indol-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,6-difluorophenoxy)methyl]-N-(1H-indol-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,6-difluorophenoxy)methyl]-N-(1H-indol-4-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCc1cccc2[nH]ccc12)c1cc(COc2c(F)cccc2F)on1.
What is the InChIKey of 5-[(2,6-difluorophenoxy)methyl]-N-(1H-indol-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is WCBYHNXMTRXBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O3/c21-15-4-2-5-16(22)19(15)27-11-13-9-18(25-28-13)20(26)24-10-12-3-1-6-17-14(12)7-8-23-17/h1-9,23H,10-11H2,(H,24,26).
What are the key properties of 5-[(2,6-difluorophenoxy)methyl]-N-(1H-indol-4-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(2,6-difluorophenoxy)methyl]-N-(1H-indol-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 383.35 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluorophenoxy)methyl]-N-(1H-indol-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 29183509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).