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

C20H15F2N3O3 — CID 31017095

IUPAC5-[(2,4-difluorophenoxy)methyl]-N-(1H-indol-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cc2ccccc2[nH]1)c1cc(COc2ccc(F)cc2F)on1
InChIInChI=1S/C20H15F2N3O3/c21-13-5-6-19(16(22)8-13)27-11-15-9-18(25-28-15)20(26)23-10-14-7-12-3-1-2-4-17(12)24-14/h1-9,24H,10-11H2,(H,23,26)
InChIKeyMHSYAUQYCBXJRJ-UHFFFAOYSA-N
MW383.35 g/mol
LogP3.94
Rot. Bonds6

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

5-[(2,4-difluorophenoxy)methyl]-N-(1H-indol-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 31017095) has the molecular formula C20H15F2N3O3 and a molecular weight of 383.35 g/mol. Its IUPAC name is 5-[(2,4-difluorophenoxy)methyl]-N-(1H-indol-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,4-difluorophenoxy)methyl]-N-(1H-indol-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID31017095
Molecular FormulaC20H15F2N3O3
Molecular Weight383.35 g/mol
Exact Mass383.11
IUPAC Name5-[(2,4-difluorophenoxy)methyl]-N-(1H-indol-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cc2ccccc2[nH]1)c1cc(COc2ccc(F)cc2F)on1
InChIInChI=1S/C20H15F2N3O3/c21-13-5-6-19(16(22)8-13)27-11-15-9-18(25-28-15)20(26)23-10-14-7-12-3-1-2-4-17(12)24-14/h1-9,24H,10-11H2,(H,23,26)
InChIKeyMHSYAUQYCBXJRJ-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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-(1H-indol-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-(1H-indol-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 31017095) is 5-[(2,4-difluorophenoxy)methyl]-N-(1H-indol-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,4-difluorophenoxy)methyl]-N-(1H-indol-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,4-difluorophenoxy)methyl]-N-(1H-indol-2-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCc1cc2ccccc2[nH]1)c1cc(COc2ccc(F)cc2F)on1.
What is the InChIKey of 5-[(2,4-difluorophenoxy)methyl]-N-(1H-indol-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is MHSYAUQYCBXJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O3/c21-13-5-6-19(16(22)8-13)27-11-15-9-18(25-28-15)20(26)23-10-14-7-12-3-1-2-4-17(12)24-14/h1-9,24H,10-11H2,(H,23,26).
What are the key properties of 5-[(2,4-difluorophenoxy)methyl]-N-(1H-indol-2-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(2,4-difluorophenoxy)methyl]-N-(1H-indol-2-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-[(2,4-difluorophenoxy)methyl]-N-(1H-indol-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 31017095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).