2-ethyl-4-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,3-oxazole-5-carboxamide

C19H23N3O2 — CID 56875403

IUPAC2-ethyl-4-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCc2cc(C)cc3c(C)c(C)[nH]c23)o1
InChIInChI=1S/C19H23N3O2/c1-6-16-21-13(5)18(24-16)19(23)20-9-14-7-10(2)8-15-11(3)12(4)22-17(14)15/h7-8,22H,6,9H2,1-5H3,(H,20,23)
InChIKeyIHMAMLWWSDELIF-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.88
Rot. Bonds4

About 2-ethyl-4-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,3-oxazole-5-carboxamide

2-ethyl-4-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,3-oxazole-5-carboxamide (PubChem CID 56875403) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,3-oxazole-5-carboxamide
PubChem CID56875403
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-ethyl-4-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCc2cc(C)cc3c(C)c(C)[nH]c23)o1
InChIInChI=1S/C19H23N3O2/c1-6-16-21-13(5)18(24-16)19(23)20-9-14-7-10(2)8-15-11(3)12(4)22-17(14)15/h7-8,22H,6,9H2,1-5H3,(H,20,23)
InChIKeyIHMAMLWWSDELIF-UHFFFAOYSA-N
XLogP3.88
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-ethyl-4-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

1-[(2S)-butan-2-yl]-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea
CID 95557957
2-(5-methylpyrazol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
CID 56877833
1-ethyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]benzotriazole-5-carboxamide
CID 51126213
2-piperidin-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]pyridine-3-carboxamide
CID 47080290
4-(tetrazol-1-ylmethyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]benzamide
CID 56862452
N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 162234705
(2S,5R)-5-(aminomethyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120790273
N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,4-dioxane-2-carboxamide
CID 71936903
(2R)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,4-dioxane-2-carboxamide
CID 95161921
1-pyridin-2-yl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea
CID 47085396
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
CID 51093568
2-ethyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 137251216

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,3-oxazole-5-carboxamide (CID 56875403) is 2-ethyl-4-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)NCc2cc(C)cc3c(C)c(C)[nH]c23)o1.
What is the InChIKey of 2-ethyl-4-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is IHMAMLWWSDELIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-6-16-21-13(5)18(24-16)19(23)20-9-14-7-10(2)8-15-11(3)12(4)22-17(14)15/h7-8,22H,6,9H2,1-5H3,(H,20,23).
What are the key properties of 2-ethyl-4-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,3-oxazole-5-carboxamide?
2-ethyl-4-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 56875403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).