N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxypropanamide

C12H14N4O3 — CID 83093404

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxypropanamide
SMILESCOc1n[nH]c(NC(=O)C(C)Oc2ccccc2)n1
InChIInChI=1S/C12H14N4O3/c1-8(19-9-6-4-3-5-7-9)10(17)13-11-14-12(18-2)16-15-11/h3-8H,1-2H3,(H2,13,14,15,16,17)
InChIKeyFQRASFXHGDJIEU-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.22
Rot. Bonds5

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxypropanamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxypropanamide (PubChem CID 83093404) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxypropanamide
PubChem CID83093404
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxypropanamide
SMILESCOc1n[nH]c(NC(=O)C(C)Oc2ccccc2)n1
InChIInChI=1S/C12H14N4O3/c1-8(19-9-6-4-3-5-7-9)10(17)13-11-14-12(18-2)16-15-11/h3-8H,1-2H3,(H2,13,14,15,16,17)
InChIKeyFQRASFXHGDJIEU-UHFFFAOYSA-N
XLogP1.22
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
N-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide
CID 71545968
(2R)-N-(2-chlorophenyl)-2-phenoxypropanamide
CID 837154
(2S)-2-phenoxy-N-pyridin-4-ylpropanamide
CID 670007
N-(2-chlorophenyl)-2-phenoxypropanamide
CID 2897832
(2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 936294
(2R)-N-(6-methyl-2-pyridinyl)-2-phenoxypropanamide
CID 836214
(2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2203307
N-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 4951720
(2S)-2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide
CID 42093263
4-methoxy-N-[2-(2-phenoxypropanoylamino)phenyl]benzamide
CID 17380470

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxypropanamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxypropanamide (CID 83093404) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxypropanamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxypropanamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxypropanamide is COc1n[nH]c(NC(=O)C(C)Oc2ccccc2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxypropanamide?
The InChIKey is FQRASFXHGDJIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-8(19-9-6-4-3-5-7-9)10(17)13-11-14-12(18-2)16-15-11/h3-8H,1-2H3,(H2,13,14,15,16,17).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxypropanamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxypropanamide has a molecular weight of 262.27 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxypropanamide is sourced from PubChem (CID 83093404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).