3-(1-ethoxy-2-methylpropyl)-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole

C10H16N6O2 — CID 139019243

IUPAC3-(1-ethoxy-2-methylpropyl)-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole
SMILESCCOC(c1noc(-c2nnn(C)n2)n1)C(C)C
InChIInChI=1S/C10H16N6O2/c1-5-17-7(6(2)3)8-11-10(18-14-8)9-12-15-16(4)13-9/h6-7H,5H2,1-4H3
InChIKeyXARCKZSVPPOXBW-UHFFFAOYSA-N
MW252.28 g/mol
LogP0.99
Rot. Bonds5

About 3-(1-ethoxy-2-methylpropyl)-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole

3-(1-ethoxy-2-methylpropyl)-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole (PubChem CID 139019243) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-(1-ethoxy-2-methylpropyl)-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-ethoxy-2-methylpropyl)-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole
PubChem CID139019243
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name3-(1-ethoxy-2-methylpropyl)-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole
SMILESCCOC(c1noc(-c2nnn(C)n2)n1)C(C)C
InChIInChI=1S/C10H16N6O2/c1-5-17-7(6(2)3)8-11-10(18-14-8)9-12-15-16(4)13-9/h6-7H,5H2,1-4H3
InChIKeyXARCKZSVPPOXBW-UHFFFAOYSA-N
XLogP0.99
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[3-(2-Methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 53625036
3-[(1R)-1-(2-methylpropoxy)ethyl]-5-[[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-1,2,4-oxadiazole
CID 125420399
3-[(1S)-1-(2-methylpropoxy)ethyl]-5-[[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-1,2,4-oxadiazole
CID 125420400
3-[1-(2-Methylpropoxy)ethyl]-5-[[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-1,2,4-oxadiazole
CID 126816993
5-(2-Methyltetrazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 146238800
5-[(3,5-Diethyl-1,2,4-triazol-1-yl)methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 71859149
5-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazole
CID 71985330
1-[[3-[1-(2-Methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2,4-triazole-3-carbonitrile
CID 72114132
4-[(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholine
CID 72141700
Ethyl 1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]tetrazole-5-carboxylate
CID 79317468
Ethyl 1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]tetrazole-5-carboxylate
CID 79317539
Ethyl 1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]tetrazole-5-carboxylate
CID 79317611

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxy-2-methylpropyl)-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-ethoxy-2-methylpropyl)-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole (CID 139019243) is 3-(1-ethoxy-2-methylpropyl)-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-ethoxy-2-methylpropyl)-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-ethoxy-2-methylpropyl)-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole is CCOC(c1noc(-c2nnn(C)n2)n1)C(C)C.
What is the InChIKey of 3-(1-ethoxy-2-methylpropyl)-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is XARCKZSVPPOXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c1-5-17-7(6(2)3)8-11-10(18-14-8)9-12-15-16(4)13-9/h6-7H,5H2,1-4H3.
What are the key properties of 3-(1-ethoxy-2-methylpropyl)-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole?
3-(1-ethoxy-2-methylpropyl)-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 252.28 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxy-2-methylpropyl)-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 139019243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).