3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-phenyl-1,3-thiazole;2-(2,2-dimethylpropyl)pyridine;3-ethyl-5-phenyl-1,2-oxazole

C61H93N5OS — CID 158677300

IUPAC3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-phenyl-1,3-thiazole;2-(2,2-dimethylpropyl)pyridine;3-ethyl-5-phenyl-1,2-oxazole
SMILESCC(C)(C)CC1CC1.CC(C)(C)CCC1CC1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cnc(-c2ccccc2)s1.CCc1cc(-c2ccccc2)on1.Cn1cc(CC(C)(C)C)cn1
InChIInChI=1S/C14H17NS.C11H11NO.C10H15N.C9H16N2.C9H18.C8H16/c1-14(2,3)9-12-10-15-13(16-12)11-7-5-4-6-8-11;1-2-10-8-11(13-12-10)9-6-4-3-5-7-9;1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)5-8-6-10-11(4)7-8;1-9(2,3)7-6-8-4-5-8;1-8(2,3)6-7-4-5-7/h4-8,10H,9H2,1-3H3;3-8H,2H2,1H3;4-7H,8H2,1-3H3;6-7H,5H2,1-4H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3
InChIKeyIERJTALSJQQQAS-UHFFFAOYSA-N
MW944.52 g/mol
LogP18.04
Rot. Bonds9

About 3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-phenyl-1,3-thiazole;2-(2,2-dimethylpropyl)pyridine;3-ethyl-5-phenyl-1,2-oxazole

3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-phenyl-1,3-thiazole;2-(2,2-dimethylpropyl)pyridine;3-ethyl-5-phenyl-1,2-oxazole (PubChem CID 158677300) has the molecular formula C61H93N5OS and a molecular weight of 944.52 g/mol. Its IUPAC name is 3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-phenyl-1,3-thiazole;2-(2,2-dimethylpropyl)pyridine;3-ethyl-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-phenyl-1,3-thiazole;2-(2,2-dimethylpropyl)pyridine;3-ethyl-5-phenyl-1,2-oxazole
PubChem CID158677300
Molecular FormulaC61H93N5OS
Molecular Weight944.52 g/mol
Exact Mass943.71
IUPAC Name3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-phenyl-1,3-thiazole;2-(2,2-dimethylpropyl)pyridine;3-ethyl-5-phenyl-1,2-oxazole
SMILESCC(C)(C)CC1CC1.CC(C)(C)CCC1CC1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cnc(-c2ccccc2)s1.CCc1cc(-c2ccccc2)on1.Cn1cc(CC(C)(C)C)cn1
InChIInChI=1S/C14H17NS.C11H11NO.C10H15N.C9H16N2.C9H18.C8H16/c1-14(2,3)9-12-10-15-13(16-12)11-7-5-4-6-8-11;1-2-10-8-11(13-12-10)9-6-4-3-5-7-9;1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)5-8-6-10-11(4)7-8;1-9(2,3)7-6-8-4-5-8;1-8(2,3)6-7-4-5-7/h4-8,10H,9H2,1-3H3;3-8H,2H2,1H3;4-7H,8H2,1-3H3;6-7H,5H2,1-4H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3
InChIKeyIERJTALSJQQQAS-UHFFFAOYSA-N
XLogP18.04
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.52
LogP ≤ 518.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-phenyl-1,3-thiazole;2-(2,2-dimethylpropyl)pyridine;3-ethyl-5-phenyl-1,2-oxazole with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-[5-[2-(6-fluoro-1,3-benzothiazol-2-yl)acetyl]-1,2-oxazol-3-yl]-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one
CID 158124448
2-[1-[(3-Fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,3-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone
CID 159869342
3,5-dimethyl-4-({3-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazol-1-yl}methyl)isoxazole
CID 29210779
5-Methyl-3-phenyl-4-[2-[1-[(2-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole
CID 142983117
5-Methyl-3-phenyl-4-[2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-4-yl]-1,2-oxazole
CID 154070962
Ethyl 4-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate
CID 154690740
Methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate
CID 154690791
2-[3-(3,5-Dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid
CID 154690833
4-Cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid
CID 154690983
Cumene;ethane;bis(2-methylpropane);3-propan-2-yl-1,2-benzoxazole;pyridine;1,3-thiazole
CID 158934220
4-Methyl-5-(2-methylpropyl)-2-phenyl-1,3-thiazole;1-methyl-4-(2-methylpropyl)pyrazole;bis(2-methyl-4-(2-methylpropyl)-1,3-thiazole);3-(2-methylpropyl)-1,2-oxazole;3-(2-methylpropyl)-5-phenyl-1,2-oxazole
CID 159606204
3,3-Dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine
CID 159913423

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-phenyl-1,3-thiazole;2-(2,2-dimethylpropyl)pyridine;3-ethyl-5-phenyl-1,2-oxazole?
The IUPAC name of 3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-phenyl-1,3-thiazole;2-(2,2-dimethylpropyl)pyridine;3-ethyl-5-phenyl-1,2-oxazole (CID 158677300) is 3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-phenyl-1,3-thiazole;2-(2,2-dimethylpropyl)pyridine;3-ethyl-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-phenyl-1,3-thiazole;2-(2,2-dimethylpropyl)pyridine;3-ethyl-5-phenyl-1,2-oxazole?
The canonical SMILES for 3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-phenyl-1,3-thiazole;2-(2,2-dimethylpropyl)pyridine;3-ethyl-5-phenyl-1,2-oxazole is CC(C)(C)CC1CC1.CC(C)(C)CCC1CC1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cnc(-c2ccccc2)s1.CCc1cc(-c2ccccc2)on1.Cn1cc(CC(C)(C)C)cn1.
What is the InChIKey of 3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-phenyl-1,3-thiazole;2-(2,2-dimethylpropyl)pyridine;3-ethyl-5-phenyl-1,2-oxazole?
The InChIKey is IERJTALSJQQQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS.C11H11NO.C10H15N.C9H16N2.C9H18.C8H16/c1-14(2,3)9-12-10-15-13(16-12)11-7-5-4-6-8-11;1-2-10-8-11(13-12-10)9-6-4-3-5-7-9;1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)5-8-6-10-11(4)7-8;1-9(2,3)7-6-8-4-5-8;1-8(2,3)6-7-4-5-7/h4-8,10H,9H2,1-3H3;3-8H,2H2,1H3;4-7H,8H2,1-3H3;6-7H,5H2,1-4H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3.
What are the key properties of 3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-phenyl-1,3-thiazole;2-(2,2-dimethylpropyl)pyridine;3-ethyl-5-phenyl-1,2-oxazole?
3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-phenyl-1,3-thiazole;2-(2,2-dimethylpropyl)pyridine;3-ethyl-5-phenyl-1,2-oxazole has a molecular weight of 944.52 g/mol, XLogP of 18.04, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-phenyl-1,3-thiazole;2-(2,2-dimethylpropyl)pyridine;3-ethyl-5-phenyl-1,2-oxazole is sourced from PubChem (CID 158677300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).