2-[(4-methylphenoxy)methyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide

C19H22N4O3 — CID 135106836

IUPAC2-[(4-methylphenoxy)methyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide
SMILESCCCn1cnnc1CNC(=O)c1ccoc1COc1ccc(C)cc1
InChIInChI=1S/C19H22N4O3/c1-3-9-23-13-21-22-18(23)11-20-19(24)16-8-10-25-17(16)12-26-15-6-4-14(2)5-7-15/h4-8,10,13H,3,9,11-12H2,1-2H3,(H,20,24)
InChIKeyLSHRGACQJWZYFF-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.10
Rot. Bonds8

About 2-[(4-methylphenoxy)methyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide

2-[(4-methylphenoxy)methyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide (PubChem CID 135106836) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[(4-methylphenoxy)methyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-[(4-methylphenoxy)methyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide
PubChem CID135106836
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-[(4-methylphenoxy)methyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide
SMILESCCCn1cnnc1CNC(=O)c1ccoc1COc1ccc(C)cc1
InChIInChI=1S/C19H22N4O3/c1-3-9-23-13-21-22-18(23)11-20-19(24)16-8-10-25-17(16)12-26-15-6-4-14(2)5-7-15/h4-8,10,13H,3,9,11-12H2,1-2H3,(H,20,24)
InChIKeyLSHRGACQJWZYFF-UHFFFAOYSA-N
XLogP3.10
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methylphenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-3-carboxamide
CID 131901713
4-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]aniline
CID 55108086
N-(4-methoxyphenyl)-2-[(4-methylphenoxy)methyl]furan-3-carboxamide
CID 6492523
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbenzamide
CID 131928417
1-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-3-[(4-methylphenyl)methyl]urea
CID 131938862
(2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenoxy)propanamide
CID 94026406
N-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methylphenoxy)methyl]furan-3-carboxamide
CID 4970557
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrol-1-ylbutanamide
CID 131910883
3-(4-ethoxyphenyl)-4-propyl-1,2,4-triazole
CID 113301287
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 106302975
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(propylamino)benzamide
CID 106303592
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 118793368

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenoxy)methyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide?
The IUPAC name of 2-[(4-methylphenoxy)methyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide (CID 135106836) is 2-[(4-methylphenoxy)methyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2-[(4-methylphenoxy)methyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide?
The canonical SMILES for 2-[(4-methylphenoxy)methyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide is CCCn1cnnc1CNC(=O)c1ccoc1COc1ccc(C)cc1.
What is the InChIKey of 2-[(4-methylphenoxy)methyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide?
The InChIKey is LSHRGACQJWZYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-3-9-23-13-21-22-18(23)11-20-19(24)16-8-10-25-17(16)12-26-15-6-4-14(2)5-7-15/h4-8,10,13H,3,9,11-12H2,1-2H3,(H,20,24).
What are the key properties of 2-[(4-methylphenoxy)methyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide?
2-[(4-methylphenoxy)methyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenoxy)methyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 135106836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).