3-(2,5-dimethylcyclohexyl)oxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide

C19H23N5O4 — CID 91291170

IUPAC3-(2,5-dimethylcyclohexyl)oxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3nn[nH]n3)c(OC3CC(C)CCC3C)c2c1
InChIInChI=1S/C19H23N5O4/c1-10-4-5-11(2)15(8-10)28-16-13-9-12(26-3)6-7-14(13)27-17(16)18(25)20-19-21-23-24-22-19/h6-7,9-11,15H,4-5,8H2,1-3H3,(H2,20,21,22,23,24,25)
InChIKeyIHZJKVGIKCTMPP-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.41
Rot. Bonds5

About 3-(2,5-dimethylcyclohexyl)oxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide

3-(2,5-dimethylcyclohexyl)oxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide (PubChem CID 91291170) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-(2,5-dimethylcyclohexyl)oxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethylcyclohexyl)oxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
PubChem CID91291170
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name3-(2,5-dimethylcyclohexyl)oxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3nn[nH]n3)c(OC3CC(C)CCC3C)c2c1
InChIInChI=1S/C19H23N5O4/c1-10-4-5-11(2)15(8-10)28-16-13-9-12(26-3)6-7-14(13)27-17(16)18(25)20-19-21-23-24-22-19/h6-7,9-11,15H,4-5,8H2,1-3H3,(H2,20,21,22,23,24,25)
InChIKeyIHZJKVGIKCTMPP-UHFFFAOYSA-N
XLogP3.41
TPSA115.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(2,5-dimethylcyclohexyl)oxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

3-cyclooctyloxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
CID 11246122
6-methoxy-3-(1-methoxyethoxy)-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
CID 139660274
5-methoxy-6-methyl-3-[(1S,3S)-3-methylcyclohexyl]oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 86311022
3,4-dimethoxy-5-methyl-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide
CID 14154240
7-methoxy-9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide
CID 12724807
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2644358
methyl 5-methoxy-3-propoxy-1-benzofuran-2-carboxylate
CID 70461005
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
6-(4-chlorophenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 12784865
5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid
CID 104708339
1-(3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)ethanone
CID 82372714
6-methoxy-4-methyl-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide
CID 21491304

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylcyclohexyl)oxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(2,5-dimethylcyclohexyl)oxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide (CID 91291170) is 3-(2,5-dimethylcyclohexyl)oxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(2,5-dimethylcyclohexyl)oxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(2,5-dimethylcyclohexyl)oxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)Nc3nn[nH]n3)c(OC3CC(C)CCC3C)c2c1.
What is the InChIKey of 3-(2,5-dimethylcyclohexyl)oxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide?
The InChIKey is IHZJKVGIKCTMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-10-4-5-11(2)15(8-10)28-16-13-9-12(26-3)6-7-14(13)27-17(16)18(25)20-19-21-23-24-22-19/h6-7,9-11,15H,4-5,8H2,1-3H3,(H2,20,21,22,23,24,25).
What are the key properties of 3-(2,5-dimethylcyclohexyl)oxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide?
3-(2,5-dimethylcyclohexyl)oxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylcyclohexyl)oxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91291170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).