furan-2-yl-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone

C14H11N3O3 — CID 42727133

IUPACfuran-2-yl-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone
SMILESCOc1nc(-c2ccccc2)n(C(=O)c2ccco2)n1
InChIInChI=1S/C14H11N3O3/c1-19-14-15-12(10-6-3-2-4-7-10)17(16-14)13(18)11-8-5-9-20-11/h2-9H,1H3
InChIKeyVXZCCHUOVKCNKN-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.24
Rot. Bonds3

About furan-2-yl-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone

furan-2-yl-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone (PubChem CID 42727133) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is furan-2-yl-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone
PubChem CID42727133
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Namefuran-2-yl-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone
SMILESCOc1nc(-c2ccccc2)n(C(=O)c2ccco2)n1
InChIInChI=1S/C14H11N3O3/c1-19-14-15-12(10-6-3-2-4-7-10)17(16-14)13(18)11-8-5-9-20-11/h2-9H,1H3
InChIKeyVXZCCHUOVKCNKN-UHFFFAOYSA-N
XLogP2.24
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-ethoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(furan-2-yl)methanone
CID 42726666
(2,4-dichlorophenyl)-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone
CID 42727132
[3-butoxy-5-(3-chlorophenyl)-1,2,4-triazol-1-yl]-(furan-2-yl)methanone
CID 3512072
N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide
CID 1029171
[5-(2,4-dichlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(furan-2-yl)methanone
CID 42726641
1,1'-biphenyl;methyl furan-2-carboxylate
CID 159970386
(3,5-dianilinopyrazol-1-yl)-(furan-2-yl)methanone
CID 121238337
furan-2-yl-[4-(3-phenyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 91904969
furan-2-yl-[4-(6-methoxy-2-phenylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 154772613
[5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone
CID 1061681
furan-2-yl-[3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone
CID 5138150
9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3234137

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone?
The IUPAC name of furan-2-yl-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone (CID 42727133) is furan-2-yl-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone.
What is the SMILES notation for furan-2-yl-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone?
The canonical SMILES for furan-2-yl-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone is COc1nc(-c2ccccc2)n(C(=O)c2ccco2)n1.
What is the InChIKey of furan-2-yl-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone?
The InChIKey is VXZCCHUOVKCNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-19-14-15-12(10-6-3-2-4-7-10)17(16-14)13(18)11-8-5-9-20-11/h2-9H,1H3.
What are the key properties of furan-2-yl-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone?
furan-2-yl-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone has a molecular weight of 269.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone is sourced from PubChem (CID 42727133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).