2-(1-methylindol-4-yl)oxy-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide

C16H19N5O2 — CID 91822510

IUPAC2-(1-methylindol-4-yl)oxy-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCC(C)c1nc(NC(=O)COc2cccc3c2ccn3C)n[nH]1
InChIInChI=1S/C16H19N5O2/c1-10(2)15-18-16(20-19-15)17-14(22)9-23-13-6-4-5-12-11(13)7-8-21(12)3/h4-8,10H,9H2,1-3H3,(H2,17,18,19,20,22)
InChIKeyHKUHFTUKAGZYBZ-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.44
Rot. Bonds5

About 2-(1-methylindol-4-yl)oxy-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide

2-(1-methylindol-4-yl)oxy-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 91822510) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(1-methylindol-4-yl)oxy-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylindol-4-yl)oxy-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID91822510
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-(1-methylindol-4-yl)oxy-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCC(C)c1nc(NC(=O)COc2cccc3c2ccn3C)n[nH]1
InChIInChI=1S/C16H19N5O2/c1-10(2)15-18-16(20-19-15)17-14(22)9-23-13-6-4-5-12-11(13)7-8-21(12)3/h4-8,10H,9H2,1-3H3,(H2,17,18,19,20,22)
InChIKeyHKUHFTUKAGZYBZ-UHFFFAOYSA-N
XLogP2.44
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylindol-4-yl)oxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 91821588
2-(2-bromophenoxy)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 84595231
N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide
CID 91823188
N-(6-chloro-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide
CID 91822344
N-(2-methoxy-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide
CID 91821935
N-methyl-2-[2-[[2-(1-methylindol-4-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 91823289
1-(2-methoxyethyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide
CID 71709068
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293099
2-(1-methylindol-4-yl)oxy-N-(3-morpholin-4-ylpropyl)acetamide
CID 110204153
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide
CID 7293077
3-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-ylpropanamide
CID 110204742
N-(4-hydroxyphenyl)-2-(1-propan-2-ylindol-4-yl)oxyacetamide
CID 91821459

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-4-yl)oxy-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(1-methylindol-4-yl)oxy-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide (CID 91822510) is 2-(1-methylindol-4-yl)oxy-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(1-methylindol-4-yl)oxy-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(1-methylindol-4-yl)oxy-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide is CC(C)c1nc(NC(=O)COc2cccc3c2ccn3C)n[nH]1.
What is the InChIKey of 2-(1-methylindol-4-yl)oxy-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is HKUHFTUKAGZYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10(2)15-18-16(20-19-15)17-14(22)9-23-13-6-4-5-12-11(13)7-8-21(12)3/h4-8,10H,9H2,1-3H3,(H2,17,18,19,20,22).
What are the key properties of 2-(1-methylindol-4-yl)oxy-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
2-(1-methylindol-4-yl)oxy-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 313.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-4-yl)oxy-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 91822510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).