5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole

C32H55N5O — CID 164957768

IUPAC5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole
SMILESCC(C)c1cn(C)nc1C(C)C.CC(C)c1cnn(C)c1C(C)C.CC(C)c1noc(C2CC2)c1C(C)C
InChIInChI=1S/C12H19NO.2C10H18N2/c1-7(2)10-11(8(3)4)13-14-12(10)9-5-6-9;1-7(2)9-6-12(5)11-10(9)8(3)4;1-7(2)9-6-11-12(5)10(9)8(3)4/h7-9H,5-6H2,1-4H3;2*6-8H,1-5H3
InChIKeyBKFWXWMXYXYQMB-UHFFFAOYSA-N
MW525.83 g/mol
LogP9.13
Rot. Bonds7

About 5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole

5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole (PubChem CID 164957768) has the molecular formula C32H55N5O and a molecular weight of 525.83 g/mol. Its IUPAC name is 5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole.

Molecular Properties

Compound Name5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole
PubChem CID164957768
Molecular FormulaC32H55N5O
Molecular Weight525.83 g/mol
Exact Mass525.44
IUPAC Name5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole
SMILESCC(C)c1cn(C)nc1C(C)C.CC(C)c1cnn(C)c1C(C)C.CC(C)c1noc(C2CC2)c1C(C)C
InChIInChI=1S/C12H19NO.2C10H18N2/c1-7(2)10-11(8(3)4)13-14-12(10)9-5-6-9;1-7(2)9-6-12(5)11-10(9)8(3)4;1-7(2)9-6-11-12(5)10(9)8(3)4/h7-9H,5-6H2,1-4H3;2*6-8H,1-5H3
InChIKeyBKFWXWMXYXYQMB-UHFFFAOYSA-N
XLogP9.13
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.83
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-Methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 53625849
(3-Ethyl-5-methyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 53626727
3,5-Dimethyl-4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 53627306
8-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 118744670
4-{1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidinyl}-5-ethyl-3-methylisoxazole
CID 50808787
4-{1-[(1,3-Dimethyl-1H-pyrazol-4-YL)methyl]pyrrolidin-2-YL}-3,5-dimethyl-1,2-oxazole
CID 53009604
3-[3-[1-(Difluoromethyl)pyrazol-4-yl]butyl]-5-propan-2-yl-1,2-oxazole
CID 126759746
5-[Difluoro-(1-methylcyclopropyl)methyl]-3-propan-2-yl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1,4-di(propan-2-yl)pyrazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole
CID 158763422
Bis(3,5-ditert-butyl-4-(trifluoromethyl)-1,2-oxazole);1,4-ditert-butyl-5-(trifluoromethyl)pyrazole
CID 159133581
3-Ethyl-5-methyl-4-[(3-methylpyrazol-1-yl)methyl]-1,2-oxazole
CID 75496352
4-{1-[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl}-3,5-dimethylisoxazole
CID 46990896
3,5-Bis(1,3-dimethylpyrazol-4-yl)-4-methylisoxazole
CID 19588235

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole?
The IUPAC name of 5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole (CID 164957768) is 5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole.
What is the SMILES notation for 5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole?
The canonical SMILES for 5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole is CC(C)c1cn(C)nc1C(C)C.CC(C)c1cnn(C)c1C(C)C.CC(C)c1noc(C2CC2)c1C(C)C.
What is the InChIKey of 5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole?
The InChIKey is BKFWXWMXYXYQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.2C10H18N2/c1-7(2)10-11(8(3)4)13-14-12(10)9-5-6-9;1-7(2)9-6-12(5)11-10(9)8(3)4;1-7(2)9-6-11-12(5)10(9)8(3)4/h7-9H,5-6H2,1-4H3;2*6-8H,1-5H3.
What are the key properties of 5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole?
5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole has a molecular weight of 525.83 g/mol, XLogP of 9.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole is sourced from PubChem (CID 164957768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).