1-(4-methoxyphenyl)-N-[2-(oxan-2-yl)propan-2-yl]triazole-4-carboxamide

C18H24N4O3 — CID 154778908

IUPAC1-(4-methoxyphenyl)-N-[2-(oxan-2-yl)propan-2-yl]triazole-4-carboxamide
SMILESCOc1ccc(-n2cc(C(=O)NC(C)(C)C3CCCCO3)nn2)cc1
InChIInChI=1S/C18H24N4O3/c1-18(2,16-6-4-5-11-25-16)19-17(23)15-12-22(21-20-15)13-7-9-14(24-3)10-8-13/h7-10,12,16H,4-6,11H2,1-3H3,(H,19,23)
InChIKeyMSOJRAHSPVGIPQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.35
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-[2-(oxan-2-yl)propan-2-yl]triazole-4-carboxamide

1-(4-methoxyphenyl)-N-[2-(oxan-2-yl)propan-2-yl]triazole-4-carboxamide (PubChem CID 154778908) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[2-(oxan-2-yl)propan-2-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[2-(oxan-2-yl)propan-2-yl]triazole-4-carboxamide
PubChem CID154778908
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-(4-methoxyphenyl)-N-[2-(oxan-2-yl)propan-2-yl]triazole-4-carboxamide
SMILESCOc1ccc(-n2cc(C(=O)NC(C)(C)C3CCCCO3)nn2)cc1
InChIInChI=1S/C18H24N4O3/c1-18(2,16-6-4-5-11-25-16)19-17(23)15-12-22(21-20-15)13-7-9-14(24-3)10-8-13/h7-10,12,16H,4-6,11H2,1-3H3,(H,19,23)
InChIKeyMSOJRAHSPVGIPQ-UHFFFAOYSA-N
XLogP2.35
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[2-(oxan-2-yl)propan-2-yl]triazole-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[2-(oxan-2-yl)propan-2-yl]triazole-4-carboxamide (CID 154778908) is 1-(4-methoxyphenyl)-N-[2-(oxan-2-yl)propan-2-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[2-(oxan-2-yl)propan-2-yl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[2-(oxan-2-yl)propan-2-yl]triazole-4-carboxamide is COc1ccc(-n2cc(C(=O)NC(C)(C)C3CCCCO3)nn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[2-(oxan-2-yl)propan-2-yl]triazole-4-carboxamide?
The InChIKey is MSOJRAHSPVGIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-18(2,16-6-4-5-11-25-16)19-17(23)15-12-22(21-20-15)13-7-9-14(24-3)10-8-13/h7-10,12,16H,4-6,11H2,1-3H3,(H,19,23).
What are the key properties of 1-(4-methoxyphenyl)-N-[2-(oxan-2-yl)propan-2-yl]triazole-4-carboxamide?
1-(4-methoxyphenyl)-N-[2-(oxan-2-yl)propan-2-yl]triazole-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[2-(oxan-2-yl)propan-2-yl]triazole-4-carboxamide is sourced from PubChem (CID 154778908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).