2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole

C34H60N8O3 — CID 159031549

IUPAC2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole
SMILESCC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1noc(C(C)C)n1.Cc1oc(C(C)C)nc1C(C)C
InChIInChI=1S/C10H17NO.C8H15N3.2C8H14N2O/c1-6(2)9-8(5)12-10(11-9)7(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7/h6-7H,1-5H3;5-6H,1-4H3,(H,9,10,11);2*5-6H,1-4H3
InChIKeyJUYJOEJVJLXSDG-UHFFFAOYSA-N
MW628.91 g/mol
LogP9.91
Rot. Bonds8

About 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole

2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole (PubChem CID 159031549) has the molecular formula C34H60N8O3 and a molecular weight of 628.91 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole
PubChem CID159031549
Molecular FormulaC34H60N8O3
Molecular Weight628.91 g/mol
Exact Mass628.48
IUPAC Name2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole
SMILESCC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1noc(C(C)C)n1.Cc1oc(C(C)C)nc1C(C)C
InChIInChI=1S/C10H17NO.C8H15N3.2C8H14N2O/c1-6(2)9-8(5)12-10(11-9)7(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7/h6-7H,1-5H3;5-6H,1-4H3,(H,9,10,11);2*5-6H,1-4H3
InChIKeyJUYJOEJVJLXSDG-UHFFFAOYSA-N
XLogP9.91
TPSA145.44 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.91
LogP ≤ 59.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S,3S)-2-chloro-4-methylpentan-3-yl]-2-methylpropanamide;N-[(1S)-1-cyclopentyl-2-methylpropyl]-2-methylpropanamide;N-[(1S)-1-cyclopropyl-2-methylpropyl]-2-methylpropanamide;N-(2,4-dimethylpentan-3-yl)-2-methylpropanamide;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;N-[(2R,3S)-2-hydroxy-4-methylpentan-3-yl]-2-methylpropanamide;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole
CID 165000082
3,5-di(propan-2-yl)-1H-1,2,4-triazole;molecular hydrogen
CID 154652840
5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 90326086
5-heptan-4-yl-3-propan-2-yl-1H-1,2,4-triazole
CID 82986844
2,5-dimethyl-4-propan-2-yl-1,3-oxazole
CID 13111486
3-(difluoromethyl)-5-propan-2-yl-1,2,4-oxadiazole;ethane
CID 177328062
(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93057363
5-methyl-2-[5-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexan-2-yl]-4-propan-2-yl-1,3-oxazole
CID 167209126
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62676276
1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pentan-1-amine
CID 61337950
2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pentan-1-amine
CID 65222017
3-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine
CID 80541678

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole?
The IUPAC name of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole (CID 159031549) is 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole.
What is the SMILES notation for 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole?
The canonical SMILES for 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole is CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1noc(C(C)C)n1.Cc1oc(C(C)C)nc1C(C)C.
What is the InChIKey of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole?
The InChIKey is JUYJOEJVJLXSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.C8H15N3.2C8H14N2O/c1-6(2)9-8(5)12-10(11-9)7(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7/h6-7H,1-5H3;5-6H,1-4H3,(H,9,10,11);2*5-6H,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole?
2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole has a molecular weight of 628.91 g/mol, XLogP of 9.91, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole is sourced from PubChem (CID 159031549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).