3-cyclooctyloxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide

C19H23N5O4 — CID 11246122

IUPAC3-cyclooctyloxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3nn[nH]n3)c(OC3CCCCCCC3)c2c1
InChIInChI=1S/C19H23N5O4/c1-26-13-9-10-15-14(11-13)16(27-12-7-5-3-2-4-6-8-12)17(28-15)18(25)20-19-21-23-24-22-19/h9-12H,2-8H2,1H3,(H2,20,21,22,23,24,25)
InChIKeyACJPXGZTNAZORD-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.70
Rot. Bonds5

About 3-cyclooctyloxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide

3-cyclooctyloxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide (PubChem CID 11246122) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-cyclooctyloxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-cyclooctyloxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
PubChem CID11246122
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name3-cyclooctyloxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3nn[nH]n3)c(OC3CCCCCCC3)c2c1
InChIInChI=1S/C19H23N5O4/c1-26-13-9-10-15-14(11-13)16(27-12-7-5-3-2-4-6-8-12)17(28-15)18(25)20-19-21-23-24-22-19/h9-12H,2-8H2,1H3,(H2,20,21,22,23,24,25)
InChIKeyACJPXGZTNAZORD-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,5-dimethylcyclohexyl)oxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
CID 91291170
3-cyclohexyloxy-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 11235067
6-methoxy-3-(1-methoxyethoxy)-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
CID 139660274
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2644358
5-methoxy-6-methyl-3-[(1S,3S)-3-methylcyclohexyl]oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 86311022
(3-cyclohexylsulfanyl-5-methoxy-1-benzothiophen-2-yl) N-(2H-tetrazol-5-yl)carbamate
CID 69362214
N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2671520
5-methoxy-3-phenoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 14673576
3-cyclohexylsulfanyl-5-methoxy-6-(methoxymethyl)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 11201342
4-(cyclohexylamino)-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide
CID 21426371
7-methoxy-9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide
CID 12724807
N-cyclohexyl-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 1130073

Frequently Asked Questions

What is the IUPAC name of 3-cyclooctyloxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-cyclooctyloxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide (CID 11246122) is 3-cyclooctyloxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-cyclooctyloxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-cyclooctyloxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)Nc3nn[nH]n3)c(OC3CCCCCCC3)c2c1.
What is the InChIKey of 3-cyclooctyloxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide?
The InChIKey is ACJPXGZTNAZORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-26-13-9-10-15-14(11-13)16(27-12-7-5-3-2-4-6-8-12)17(28-15)18(25)20-19-21-23-24-22-19/h9-12H,2-8H2,1H3,(H2,20,21,22,23,24,25).
What are the key properties of 3-cyclooctyloxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide?
3-cyclooctyloxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclooctyloxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 11246122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).