2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)-5-(phenylmethoxymethyl)-1,3,4-oxadiazole

C19H18N2O3 — CID 166274301

IUPAC2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)-5-(phenylmethoxymethyl)-1,3,4-oxadiazole
SMILESCc1cc2c(c(-c3nnc(COCc4ccccc4)o3)c1)OCC2
InChIInChI=1S/C19H18N2O3/c1-13-9-15-7-8-23-18(15)16(10-13)19-21-20-17(24-19)12-22-11-14-5-3-2-4-6-14/h2-6,9-10H,7-8,11-12H2,1H3
InChIKeyDPKOXDSWDXKTEO-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.70
Rot. Bonds5

About 2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)-5-(phenylmethoxymethyl)-1,3,4-oxadiazole

2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)-5-(phenylmethoxymethyl)-1,3,4-oxadiazole (PubChem CID 166274301) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)-5-(phenylmethoxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)-5-(phenylmethoxymethyl)-1,3,4-oxadiazole
PubChem CID166274301
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)-5-(phenylmethoxymethyl)-1,3,4-oxadiazole
SMILESCc1cc2c(c(-c3nnc(COCc4ccccc4)o3)c1)OCC2
InChIInChI=1S/C19H18N2O3/c1-13-9-15-7-8-23-18(15)16(10-13)19-21-20-17(24-19)12-22-11-14-5-3-2-4-6-14/h2-6,9-10H,7-8,11-12H2,1H3
InChIKeyDPKOXDSWDXKTEO-UHFFFAOYSA-N
XLogP3.70
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)-5-(phenylmethoxymethyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

5-methyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran;propane
CID 142100880
5-methyl-7-(5-methylthiophen-2-yl)-2,3-dihydro-1-benzofuran
CID 23543547
2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 53017493
ethane;phenylmethoxymethylbenzene
CID 90943549
4-benzyl-6-methyl-2,3-dihydro-1-benzofuran
CID 146249900
CID 66734377
CID 66734377
2-(2-bromophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 7894295
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,4,6-trimethylbenzoate
CID 7472802
(Z)-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)-3-naphthalen-1-ylprop-2-enenitrile
CID 102248877
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61327335
6-(methoxymethyl)-3-[5-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine
CID 24883023
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)-5-(phenylmethoxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)-5-(phenylmethoxymethyl)-1,3,4-oxadiazole (CID 166274301) is 2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)-5-(phenylmethoxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)-5-(phenylmethoxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)-5-(phenylmethoxymethyl)-1,3,4-oxadiazole is Cc1cc2c(c(-c3nnc(COCc4ccccc4)o3)c1)OCC2.
What is the InChIKey of 2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)-5-(phenylmethoxymethyl)-1,3,4-oxadiazole?
The InChIKey is DPKOXDSWDXKTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-9-15-7-8-23-18(15)16(10-13)19-21-20-17(24-19)12-22-11-14-5-3-2-4-6-14/h2-6,9-10H,7-8,11-12H2,1H3.
What are the key properties of 2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)-5-(phenylmethoxymethyl)-1,3,4-oxadiazole?
2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)-5-(phenylmethoxymethyl)-1,3,4-oxadiazole has a molecular weight of 322.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)-5-(phenylmethoxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 166274301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).