N-(4-pyrimidin-2-yloxan-4-yl)-2,3-dihydro-1-benzofuran-5-carboxamide

C18H19N3O3 — CID 138024810

IUPACN-(4-pyrimidin-2-yloxan-4-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NC1(c2ncccn2)CCOCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H19N3O3/c22-16(14-2-3-15-13(12-14)4-9-24-15)21-18(5-10-23-11-6-18)17-19-7-1-8-20-17/h1-3,7-8,12H,4-6,9-11H2,(H,21,22)
InChIKeyNXBSTTXRRWLBSR-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.85
Rot. Bonds3

About N-(4-pyrimidin-2-yloxan-4-yl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-(4-pyrimidin-2-yloxan-4-yl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 138024810) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(4-pyrimidin-2-yloxan-4-yl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(4-pyrimidin-2-yloxan-4-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID138024810
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(4-pyrimidin-2-yloxan-4-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NC1(c2ncccn2)CCOCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H19N3O3/c22-16(14-2-3-15-13(12-14)4-9-24-15)21-18(5-10-23-11-6-18)17-19-7-1-8-20-17/h1-3,7-8,12H,4-6,9-11H2,(H,21,22)
InChIKeyNXBSTTXRRWLBSR-UHFFFAOYSA-N
XLogP1.85
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-carbonylamino)oxane-4-carboxylic acid
CID 115291715
N-(4-pyrimidin-2-yloxan-4-yl)furan-3-carboxamide
CID 138024801
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86982746
N-[1-(hydroxymethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113344817
methyl 1-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylate
CID 116922177
N-(4-pyrimidin-2-yloxan-4-yl)quinoxaline-2-carboxamide
CID 138024799
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 65312218
N-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693454
N-quinolin-3-yl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 39857899
4-chloro-3-fluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide
CID 75507636

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrimidin-2-yloxan-4-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(4-pyrimidin-2-yloxan-4-yl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 138024810) is N-(4-pyrimidin-2-yloxan-4-yl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(4-pyrimidin-2-yloxan-4-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(4-pyrimidin-2-yloxan-4-yl)-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(NC1(c2ncccn2)CCOCC1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(4-pyrimidin-2-yloxan-4-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is NXBSTTXRRWLBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-16(14-2-3-15-13(12-14)4-9-24-15)21-18(5-10-23-11-6-18)17-19-7-1-8-20-17/h1-3,7-8,12H,4-6,9-11H2,(H,21,22).
What are the key properties of N-(4-pyrimidin-2-yloxan-4-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(4-pyrimidin-2-yloxan-4-yl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrimidin-2-yloxan-4-yl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 138024810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).