N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

C24H25N3O3 — CID 55727052

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCc1cc(NC(=O)c2oc3ccccc3c2COc2ccccc2)n(C(C)(C)C)n1
InChIInChI=1S/C24H25N3O3/c1-16-14-21(27(26-16)24(2,3)4)25-23(28)22-19(15-29-17-10-6-5-7-11-17)18-12-8-9-13-20(18)30-22/h5-14H,15H2,1-4H3,(H,25,28)
InChIKeyIPRYUSCMCAMKIK-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.52
Rot. Bonds5

About N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 55727052) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID55727052
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCc1cc(NC(=O)c2oc3ccccc3c2COc2ccccc2)n(C(C)(C)C)n1
InChIInChI=1S/C24H25N3O3/c1-16-14-21(27(26-16)24(2,3)4)25-23(28)22-19(15-29-17-10-6-5-7-11-17)18-12-8-9-13-20(18)30-22/h5-14H,15H2,1-4H3,(H,25,28)
InChIKeyIPRYUSCMCAMKIK-UHFFFAOYSA-N
XLogP5.52
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 55377948
N-(6-methyl-2-pyridinyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 39946412
N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7914455
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 26904052
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7919912
N-(2-methoxy-5-methylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7962546
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 2417670
N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18775166
3-(phenoxymethyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-benzofuran-2-carboxamide
CID 24516244
N-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 112766618
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 4799935

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (CID 55727052) is N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is Cc1cc(NC(=O)c2oc3ccccc3c2COc2ccccc2)n(C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is IPRYUSCMCAMKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16-14-21(27(26-16)24(2,3)4)25-23(28)22-19(15-29-17-10-6-5-7-11-17)18-12-8-9-13-20(18)30-22/h5-14H,15H2,1-4H3,(H,25,28).
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55727052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).