N-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide

C18H18N4O2 — CID 71545968

IUPACN-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide
SMILESCc1ccccc1-c1nc(NC(=O)C(C)Oc2ccccc2)n[nH]1
InChIInChI=1S/C18H18N4O2/c1-12-8-6-7-11-15(12)16-19-18(22-21-16)20-17(23)13(2)24-14-9-4-3-5-10-14/h3-11,13H,1-2H3,(H2,19,20,21,22,23)
InChIKeyXUIGJPVAIHGZOD-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.19
Rot. Bonds5

About N-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide

N-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide (PubChem CID 71545968) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide
PubChem CID71545968
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide
SMILESCc1ccccc1-c1nc(NC(=O)C(C)Oc2ccccc2)n[nH]1
InChIInChI=1S/C18H18N4O2/c1-12-8-6-7-11-15(12)16-19-18(22-21-16)20-17(23)13(2)24-14-9-4-3-5-10-14/h3-11,13H,1-2H3,(H2,19,20,21,22,23)
InChIKeyXUIGJPVAIHGZOD-UHFFFAOYSA-N
XLogP3.19
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide
CID 9245949
(2S)-2-(4-methylphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 27446892
2-(4-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 86992055
(2S)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide
CID 9246906
(2R)-2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 94139491
2-(4-fluorophenoxy)-N-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]propanamide
CID 50752042
2-(4-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 43021015
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxypropanamide
CID 83093404
(2S)-2-phenoxy-N-pyridin-4-ylpropanamide
CID 670007
(2R)-N-(6-methyl-2-pyridinyl)-2-phenoxypropanamide
CID 836214
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide?
The IUPAC name of N-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide (CID 71545968) is N-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide.
What is the SMILES notation for N-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide?
The canonical SMILES for N-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide is Cc1ccccc1-c1nc(NC(=O)C(C)Oc2ccccc2)n[nH]1.
What is the InChIKey of N-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide?
The InChIKey is XUIGJPVAIHGZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-8-6-7-11-15(12)16-19-18(22-21-16)20-17(23)13(2)24-14-9-4-3-5-10-14/h3-11,13H,1-2H3,(H2,19,20,21,22,23).
What are the key properties of N-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide?
N-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide has a molecular weight of 322.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide is sourced from PubChem (CID 71545968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).