3-tert-butyl-N-(1H-indol-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide

C18H21N3O2 — CID 110605804

IUPAC3-tert-butyl-N-(1H-indol-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(C)(C)C)c1C(=O)NCc1c[nH]c2ccccc12
InChIInChI=1S/C18H21N3O2/c1-11-15(16(21-23-11)18(2,3)4)17(22)20-10-12-9-19-14-8-6-5-7-13(12)14/h5-9,19H,10H2,1-4H3,(H,20,22)
InChIKeyMXUZXMDSAJMMIA-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.69
Rot. Bonds3

About 3-tert-butyl-N-(1H-indol-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide

3-tert-butyl-N-(1H-indol-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 110605804) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-tert-butyl-N-(1H-indol-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-(1H-indol-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID110605804
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name3-tert-butyl-N-(1H-indol-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(C)(C)C)c1C(=O)NCc1c[nH]c2ccccc12
InChIInChI=1S/C18H21N3O2/c1-11-15(16(21-23-11)18(2,3)4)17(22)20-10-12-9-19-14-8-6-5-7-13(12)14/h5-9,19H,10H2,1-4H3,(H,20,22)
InChIKeyMXUZXMDSAJMMIA-UHFFFAOYSA-N
XLogP3.69
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
CID 53001884
N-(1H-indol-3-ylmethyl)pyridine-2-carboxamide
CID 110673234
ethyl 3-(1H-indol-3-ylmethylamino)-3-oxopropanoate
CID 115138557
2-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 115661182
2-(2-chlorophenyl)-N-(1H-indol-3-ylmethyl)acetamide
CID 110673257
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962
N-(4,4-dimethylpent-2-ynyl)-2-(1H-indol-3-yl)acetamide
CID 58790355
2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 20969118
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464
3-hydroxy-4-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 66002723
2-(1H-indol-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 43420110
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(1H-indol-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-tert-butyl-N-(1H-indol-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 110605804) is 3-tert-butyl-N-(1H-indol-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-(1H-indol-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-tert-butyl-N-(1H-indol-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(C(C)(C)C)c1C(=O)NCc1c[nH]c2ccccc12.
What is the InChIKey of 3-tert-butyl-N-(1H-indol-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is MXUZXMDSAJMMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11-15(16(21-23-11)18(2,3)4)17(22)20-10-12-9-19-14-8-6-5-7-13(12)14/h5-9,19H,10H2,1-4H3,(H,20,22).
What are the key properties of 3-tert-butyl-N-(1H-indol-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-tert-butyl-N-(1H-indol-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(1H-indol-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110605804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).