N-tert-butyl-2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]acetamide

C15H20N4O2 — CID 43860040

IUPACN-tert-butyl-2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCC(C)(C)NC(=O)Cc1n[nH]c(COc2ccccc2)n1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)17-14(20)9-12-16-13(19-18-12)10-21-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,17,20)(H,16,18,19)
InChIKeyWQBDRIXFJPKNTB-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.84
Rot. Bonds5

About N-tert-butyl-2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]acetamide

N-tert-butyl-2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 43860040) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-tert-butyl-2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID43860040
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-tert-butyl-2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCC(C)(C)NC(=O)Cc1n[nH]c(COc2ccccc2)n1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)17-14(20)9-12-16-13(19-18-12)10-21-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,17,20)(H,16,18,19)
InChIKeyWQBDRIXFJPKNTB-UHFFFAOYSA-N
XLogP1.84
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 43860040) is N-tert-butyl-2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]acetamide is CC(C)(C)NC(=O)Cc1n[nH]c(COc2ccccc2)n1.
What is the InChIKey of N-tert-butyl-2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is WQBDRIXFJPKNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2,3)17-14(20)9-12-16-13(19-18-12)10-21-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,17,20)(H,16,18,19).
What are the key properties of N-tert-butyl-2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]acetamide?
N-tert-butyl-2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 43860040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).