3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)furan-2-carboxamide

C16H16N4O4 — CID 137210287

IUPAC3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESCc1cc(COc2ccccc2)oc1C(=O)NCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C16H16N4O4/c1-10-7-12(9-23-11-5-3-2-4-6-11)24-14(10)15(21)17-8-13-18-16(22)20-19-13/h2-7H,8-9H2,1H3,(H,17,21)(H2,18,19,20,22)
InChIKeyQSGBBQFPKHEPRW-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.51
Rot. Bonds6

About 3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)furan-2-carboxamide

3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)furan-2-carboxamide (PubChem CID 137210287) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is 3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
PubChem CID137210287
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESCc1cc(COc2ccccc2)oc1C(=O)NCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C16H16N4O4/c1-10-7-12(9-23-11-5-3-2-4-6-11)24-14(10)15(21)17-8-13-18-16(22)20-19-13/h2-7H,8-9H2,1H3,(H,17,21)(H2,18,19,20,22)
InChIKeyQSGBBQFPKHEPRW-UHFFFAOYSA-N
XLogP1.51
TPSA113.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)furan-2-carboxamide with MolForge

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Related Compounds

3-methyl-N-[(3R)-2-oxoazepan-3-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 95120272
N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 91774436
3-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxylic acid
CID 678938
5-[[3-(methoxymethyl)phenoxy]methyl]-3-methylfuran-2-carbohydrazide
CID 63985457
5-[(3-fluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620729
5-[(3,4-dichlorophenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620839
5-[(4-formylphenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620851
2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
CID 137200070
(2S,4S)-4-amino-N-methyl-1-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxamide
CID 56719092
N-[[(2R)-oxan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 42519117
N-[(4-fluorophenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 7975174
N-[[3-methyl-5-(phenoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62453447

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)furan-2-carboxamide (CID 137210287) is 3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)furan-2-carboxamide is Cc1cc(COc2ccccc2)oc1C(=O)NCc1n[nH]c(=O)[nH]1.
What is the InChIKey of 3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is QSGBBQFPKHEPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-10-7-12(9-23-11-5-3-2-4-6-11)24-14(10)15(21)17-8-13-18-16(22)20-19-13/h2-7H,8-9H2,1H3,(H,17,21)(H2,18,19,20,22).
What are the key properties of 3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)furan-2-carboxamide?
3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 137210287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).