5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-(oxolan-2-ylmethyl)tetrazole

C18H24N4O3S — CID 24574094

IUPAC5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-(oxolan-2-ylmethyl)tetrazole
SMILESCCOc1cc2c(cc1CSc1nnnn1CC1CCCO1)OC(C)C2
InChIInChI=1S/C18H24N4O3S/c1-3-23-16-8-13-7-12(2)25-17(13)9-14(16)11-26-18-19-20-21-22(18)10-15-5-4-6-24-15/h8-9,12,15H,3-7,10-11H2,1-2H3
InChIKeyCROXLHXGIIDFDD-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.87
Rot. Bonds7

About 5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-(oxolan-2-ylmethyl)tetrazole

5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-(oxolan-2-ylmethyl)tetrazole (PubChem CID 24574094) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-(oxolan-2-ylmethyl)tetrazole.

Molecular Properties

Compound Name5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-(oxolan-2-ylmethyl)tetrazole
PubChem CID24574094
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-(oxolan-2-ylmethyl)tetrazole
SMILESCCOc1cc2c(cc1CSc1nnnn1CC1CCCO1)OC(C)C2
InChIInChI=1S/C18H24N4O3S/c1-3-23-16-8-13-7-12(2)25-17(13)9-14(16)11-26-18-19-20-21-22(18)10-15-5-4-6-24-15/h8-9,12,15H,3-7,10-11H2,1-2H3
InChIKeyCROXLHXGIIDFDD-UHFFFAOYSA-N
XLogP2.87
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-(oxolan-2-ylmethyl)tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzyl-5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-4-ethyl-1,2,4-triazole
CID 16575472
5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 30238242
5-chloro-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 75498623
3-[3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid
CID 42925633
5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1-(oxolan-2-ylmethyl)tetrazole
CID 51083221
6-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 24523086
5-(3-chloroprop-2-enylsulfanyl)-1-(oxolan-2-ylmethyl)tetrazole
CID 72691656
2-cyclopropyl-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 75433529
2-(2-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 51259859
2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbutan-1-ol
CID 126836605
1-(2-methoxy-5-methylphenyl)-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethanone
CID 94797823
5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole
CID 95691699

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-(oxolan-2-ylmethyl)tetrazole?
The IUPAC name of 5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-(oxolan-2-ylmethyl)tetrazole (CID 24574094) is 5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-(oxolan-2-ylmethyl)tetrazole.
What is the SMILES notation for 5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-(oxolan-2-ylmethyl)tetrazole?
The canonical SMILES for 5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-(oxolan-2-ylmethyl)tetrazole is CCOc1cc2c(cc1CSc1nnnn1CC1CCCO1)OC(C)C2.
What is the InChIKey of 5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-(oxolan-2-ylmethyl)tetrazole?
The InChIKey is CROXLHXGIIDFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-3-23-16-8-13-7-12(2)25-17(13)9-14(16)11-26-18-19-20-21-22(18)10-15-5-4-6-24-15/h8-9,12,15H,3-7,10-11H2,1-2H3.
What are the key properties of 5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-(oxolan-2-ylmethyl)tetrazole?
5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-(oxolan-2-ylmethyl)tetrazole has a molecular weight of 376.48 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-(oxolan-2-ylmethyl)tetrazole is sourced from PubChem (CID 24574094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).