N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2H-triazole-4-carboxamide

C16H18N4O3 — CID 91761665

IUPACN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2H-triazole-4-carboxamide
SMILESO=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)c1cn[nH]n1
InChIInChI=1S/C16H18N4O3/c21-12-6-11(7-12)15(18-16(22)13-8-17-20-19-13)10-1-2-14-9(5-10)3-4-23-14/h1-2,5,8,11-12,15,21H,3-4,6-7H2,(H,18,22)(H,17,19,20)
InChIKeyLLDCNXKQADPACP-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.98
Rot. Bonds4

About N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2H-triazole-4-carboxamide

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2H-triazole-4-carboxamide (PubChem CID 91761665) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2H-triazole-4-carboxamide
PubChem CID91761665
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2H-triazole-4-carboxamide
SMILESO=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)c1cn[nH]n1
InChIInChI=1S/C16H18N4O3/c21-12-6-11(7-12)15(18-16(22)13-8-17-20-19-13)10-1-2-14-9(5-10)3-4-23-14/h1-2,5,8,11-12,15,21H,3-4,6-7H2,(H,18,22)(H,17,19,20)
InChIKeyLLDCNXKQADPACP-UHFFFAOYSA-N
XLogP0.98
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(difluoromethyl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-1H-pyrazole-3-carboxamide
CID 91789441
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
CID 91784492
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-methylsulfanylacetamide
CID 91768807
5-chloro-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 91764049
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91790185
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]thiophene-3-carboxamide
CID 91770511
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide
CID 133268359
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]cyclobutanecarboxamide
CID 91771691
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide
CID 91797125
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 91786178
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(dimethylcarbamoylamino)acetamide
CID 91769960
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-pyridin-4-ylpropanamide
CID 91760338

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2H-triazole-4-carboxamide (CID 91761665) is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2H-triazole-4-carboxamide is O=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)c1cn[nH]n1.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2H-triazole-4-carboxamide?
The InChIKey is LLDCNXKQADPACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c21-12-6-11(7-12)15(18-16(22)13-8-17-20-19-13)10-1-2-14-9(5-10)3-4-23-14/h1-2,5,8,11-12,15,21H,3-4,6-7H2,(H,18,22)(H,17,19,20).
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2H-triazole-4-carboxamide?
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2H-triazole-4-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 91761665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).