N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(hydroxymethyl)oxetane-3-carboxamide

C14H17NO4 — CID 115185352

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(hydroxymethyl)oxetane-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)CCO2)C1(CO)COC1
InChIInChI=1S/C14H17NO4/c16-7-14(8-18-9-14)13(17)15-6-10-1-2-12-11(5-10)3-4-19-12/h1-2,5,16H,3-4,6-9H2,(H,15,17)
InChIKeyBWRXRJKRJXPLOR-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.25
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(hydroxymethyl)oxetane-3-carboxamide

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(hydroxymethyl)oxetane-3-carboxamide (PubChem CID 115185352) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(hydroxymethyl)oxetane-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(hydroxymethyl)oxetane-3-carboxamide
PubChem CID115185352
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(hydroxymethyl)oxetane-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)CCO2)C1(CO)COC1
InChIInChI=1S/C14H17NO4/c16-7-14(8-18-9-14)13(17)15-6-10-1-2-12-11(5-10)3-4-19-12/h1-2,5,16H,3-4,6-9H2,(H,15,17)
InChIKeyBWRXRJKRJXPLOR-UHFFFAOYSA-N
XLogP0.25
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxoacetic acid
CID 115141351
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide
CID 115167217
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide
CID 115175685
(E)-4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-4-oxobut-2-enoic acid
CID 115177230
phenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate
CID 110787080
4-[[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120542026
3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propanoic acid
CID 43804240
5-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)furan-2-carboxamide
CID 110795017
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pentanamide
CID 110787032
4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787047
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)cyclopropane-1-carboxamide
CID 99833738

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(hydroxymethyl)oxetane-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(hydroxymethyl)oxetane-3-carboxamide (CID 115185352) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(hydroxymethyl)oxetane-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(hydroxymethyl)oxetane-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(hydroxymethyl)oxetane-3-carboxamide is O=C(NCc1ccc2c(c1)CCO2)C1(CO)COC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(hydroxymethyl)oxetane-3-carboxamide?
The InChIKey is BWRXRJKRJXPLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-7-14(8-18-9-14)13(17)15-6-10-1-2-12-11(5-10)3-4-19-12/h1-2,5,16H,3-4,6-9H2,(H,15,17).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(hydroxymethyl)oxetane-3-carboxamide?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(hydroxymethyl)oxetane-3-carboxamide has a molecular weight of 263.29 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(hydroxymethyl)oxetane-3-carboxamide is sourced from PubChem (CID 115185352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).