3-(phenoxymethyl)-N-(2H-triazol-4-ylmethyl)furan-2-carboxamide

C15H14N4O3 — CID 75512492

IUPAC3-(phenoxymethyl)-N-(2H-triazol-4-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cn[nH]n1)c1occc1COc1ccccc1
InChIInChI=1S/C15H14N4O3/c20-15(16-8-12-9-17-19-18-12)14-11(6-7-21-14)10-22-13-4-2-1-3-5-13/h1-7,9H,8,10H2,(H,16,20)(H,17,18,19)
InChIKeyBIKUYBZAMHMTHR-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.91
Rot. Bonds6

About 3-(phenoxymethyl)-N-(2H-triazol-4-ylmethyl)furan-2-carboxamide

3-(phenoxymethyl)-N-(2H-triazol-4-ylmethyl)furan-2-carboxamide (PubChem CID 75512492) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-(phenoxymethyl)-N-(2H-triazol-4-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name3-(phenoxymethyl)-N-(2H-triazol-4-ylmethyl)furan-2-carboxamide
PubChem CID75512492
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name3-(phenoxymethyl)-N-(2H-triazol-4-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cn[nH]n1)c1occc1COc1ccccc1
InChIInChI=1S/C15H14N4O3/c20-15(16-8-12-9-17-19-18-12)14-11(6-7-21-14)10-22-13-4-2-1-3-5-13/h1-7,9H,8,10H2,(H,16,20)(H,17,18,19)
InChIKeyBIKUYBZAMHMTHR-UHFFFAOYSA-N
XLogP1.91
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 30138155
N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46697697
N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 26014402
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55743245
N-[[3-(methoxymethyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46487559
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide
CID 46689866
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 29434158
3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide
CID 30832733
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46529748
3-(phenoxymethyl)-N-(2-pyridin-3-ylethyl)furan-2-carboxamide
CID 30889619

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-N-(2H-triazol-4-ylmethyl)furan-2-carboxamide?
The IUPAC name of 3-(phenoxymethyl)-N-(2H-triazol-4-ylmethyl)furan-2-carboxamide (CID 75512492) is 3-(phenoxymethyl)-N-(2H-triazol-4-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 3-(phenoxymethyl)-N-(2H-triazol-4-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 3-(phenoxymethyl)-N-(2H-triazol-4-ylmethyl)furan-2-carboxamide is O=C(NCc1cn[nH]n1)c1occc1COc1ccccc1.
What is the InChIKey of 3-(phenoxymethyl)-N-(2H-triazol-4-ylmethyl)furan-2-carboxamide?
The InChIKey is BIKUYBZAMHMTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c20-15(16-8-12-9-17-19-18-12)14-11(6-7-21-14)10-22-13-4-2-1-3-5-13/h1-7,9H,8,10H2,(H,16,20)(H,17,18,19).
What are the key properties of 3-(phenoxymethyl)-N-(2H-triazol-4-ylmethyl)furan-2-carboxamide?
3-(phenoxymethyl)-N-(2H-triazol-4-ylmethyl)furan-2-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-N-(2H-triazol-4-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 75512492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).