2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole

C45H75N9O4S2 — CID 157372591

IUPAC2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole
SMILESCc1cc(CC(C)C)no1.Cc1nc(CC(C)C)no1.Cc1ncc(CC(C)C)o1.Cc1ncc(CC(C)C)s1.Cc1nnc(CC(C)C)o1.Cc1nnc(CC(C)C)s1
InChIInChI=1S/2C8H13NO.C8H13NS.2C7H12N2O.C7H12N2S/c1-6(2)4-8-5-9-7(3)10-8;1-6(2)4-8-5-7(3)10-9-8;1-6(2)4-8-5-9-7(3)10-8;1-5(2)4-7-9-8-6(3)10-7;1-5(2)4-7-8-6(3)10-9-7;1-5(2)4-7-9-8-6(3)10-7/h3*5-6H,4H2,1-3H3;3*5H,4H2,1-3H3
InChIKeyBJYBIQRWFCHAHK-UHFFFAOYSA-N
MW870.29 g/mol
LogP12.21
Rot. Bonds12

About 2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole

2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole (PubChem CID 157372591) has the molecular formula C45H75N9O4S2 and a molecular weight of 870.29 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole
PubChem CID157372591
Molecular FormulaC45H75N9O4S2
Molecular Weight870.29 g/mol
Exact Mass869.54
IUPAC Name2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole
SMILESCc1cc(CC(C)C)no1.Cc1nc(CC(C)C)no1.Cc1ncc(CC(C)C)o1.Cc1ncc(CC(C)C)s1.Cc1nnc(CC(C)C)o1.Cc1nnc(CC(C)C)s1
InChIInChI=1S/2C8H13NO.C8H13NS.2C7H12N2O.C7H12N2S/c1-6(2)4-8-5-9-7(3)10-8;1-6(2)4-8-5-7(3)10-9-8;1-6(2)4-8-5-9-7(3)10-8;1-5(2)4-7-9-8-6(3)10-7;1-5(2)4-7-8-6(3)10-9-7;1-5(2)4-7-9-8-6(3)10-7/h3*5-6H,4H2,1-3H3;3*5H,4H2,1-3H3
InChIKeyBJYBIQRWFCHAHK-UHFFFAOYSA-N
XLogP12.21
TPSA168.57 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500870.29
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole with MolForge

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Related Compounds

2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;3-(2,2-dimethylpropyl)-1,5-dimethylpyrazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;bis(3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole);bis(5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);3-(2,2-dimethylpropyl)-5-methyl-1H-1,2,4-triazole;2-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-1,3-oxazole;bis(4-(2,2-dimethylpropyl)-1,3-oxazole);5-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;5-(2,2-dimethylpropyl)-1H-pyrazole;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole
CID 157121208
2-Ethyl-5-propan-2-yl-1,3,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;5-ethyl-3-propan-2-yl-1,2,4-oxadiazole;2-ethyl-4-propan-2-yl-1,3-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-ethyl-2-propan-2-yl-1,3-oxazole;5-ethyl-3-propan-2-yl-1,2-oxazole;2-ethyl-5-propan-2-yltetrazole;5-ethyl-2-propan-2-yltetrazole;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;3-ethyl-5-propan-2-yl-1,2,4-thiadiazole;5-ethyl-3-propan-2-yl-1,2,4-thiadiazole;2-ethyl-4-propan-2-yl-1,3-thiazole;2-ethyl-5-propan-2-yl-1,3-thiazole;3-ethyl-5-propan-2-yl-1,2-thiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-3-propan-2-yl-1,2-thiazole
CID 157375347
2-Tert-butyl-4-(3,3-dimethylbutyl)furan;2-tert-butyl-5-(3,3-dimethylbutyl)furan;4-tert-butyl-2-(3,3-dimethylbutyl)furan;2-tert-butyl-5-(3,3-dimethylbutyl)-1,3,4-oxadiazole;5-tert-butyl-3-(3,3-dimethylbutyl)-1,2,4-oxadiazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1,3-oxazole;2-tert-butyl-5-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2-oxazole;4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;5-tert-butyl-3-(3,3-dimethylbutyl)-1,2-oxazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-thiazole
CID 157465080
2,5-Dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole
CID 157734609
3-Tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,5-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole
CID 157949331
2,5-Bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;bis(3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;bis(2,2,8,8-tetramethylnonane)
CID 158046977
Argon;ethane;2-methylpropane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole
CID 158201256
5-Tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;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)-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole
CID 158562606
2-Tert-butyl-4-(3,3-dimethylbutyl)furan;2-tert-butyl-5-(3,3-dimethylbutyl)furan;4-tert-butyl-2-(3,3-dimethylbutyl)furan;2-tert-butyl-5-(3,3-dimethylbutyl)-1,3,4-oxadiazole;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;5-tert-butyl-3-(3,3-dimethylbutyl)-1,2,4-oxadiazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1,3-oxazole;2-tert-butyl-5-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2-oxazole;4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;5-tert-butyl-3-(3,3-dimethylbutyl)-1,2-oxazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-thiazole
CID 158678799
2,5-Di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole)
CID 159120450
2,5-Di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);methane
CID 159178983
2,4-Ditert-butyl-4,5-dihydro-1,3-oxazole;3,5-ditert-butyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidin-2-one;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole
CID 159376566

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole (CID 157372591) is 2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole is Cc1cc(CC(C)C)no1.Cc1nc(CC(C)C)no1.Cc1ncc(CC(C)C)o1.Cc1ncc(CC(C)C)s1.Cc1nnc(CC(C)C)o1.Cc1nnc(CC(C)C)s1.
What is the InChIKey of 2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole?
The InChIKey is BJYBIQRWFCHAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H13NO.C8H13NS.2C7H12N2O.C7H12N2S/c1-6(2)4-8-5-9-7(3)10-8;1-6(2)4-8-5-7(3)10-9-8;1-6(2)4-8-5-9-7(3)10-8;1-5(2)4-7-9-8-6(3)10-7;1-5(2)4-7-8-6(3)10-9-7;1-5(2)4-7-9-8-6(3)10-7/h3*5-6H,4H2,1-3H3;3*5H,4H2,1-3H3.
What are the key properties of 2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole?
2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole has a molecular weight of 870.29 g/mol, XLogP of 12.21, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 157372591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).