3-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-(2-methylpropyl)-1-propan-2-ylpyrazole

C40H70N6O2 — CID 161087512

IUPAC3-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-(2-methylpropyl)-1-propan-2-ylpyrazole
SMILESCC(C)Cc1cc(C(C)C)no1.CC(C)Cc1cc(C(C)C)on1.CC(C)Cc1cnn(C(C)C)c1.CC(C)Cn1cc(C(C)C)cn1
InChIInChI=1S/2C10H18N2.2C10H17NO/c1-8(2)6-12-7-10(5-11-12)9(3)4;1-8(2)5-10-6-11-12(7-10)9(3)4;1-7(2)5-9-6-10(8(3)4)11-12-9;1-7(2)5-9-6-10(8(3)4)12-11-9/h5,7-9H,6H2,1-4H3;6-9H,5H2,1-4H3;2*6-8H,5H2,1-4H3
InChIKeyUGSKQQLGEMBBGL-UHFFFAOYSA-N
MW667.04 g/mol
LogP11.32
Rot. Bonds12

About 3-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-(2-methylpropyl)-1-propan-2-ylpyrazole

3-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-(2-methylpropyl)-1-propan-2-ylpyrazole (PubChem CID 161087512) has the molecular formula C40H70N6O2 and a molecular weight of 667.04 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-(2-methylpropyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-(2-methylpropyl)-1-propan-2-ylpyrazole
PubChem CID161087512
Molecular FormulaC40H70N6O2
Molecular Weight667.04 g/mol
Exact Mass666.56
IUPAC Name3-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-(2-methylpropyl)-1-propan-2-ylpyrazole
SMILESCC(C)Cc1cc(C(C)C)no1.CC(C)Cc1cc(C(C)C)on1.CC(C)Cc1cnn(C(C)C)c1.CC(C)Cn1cc(C(C)C)cn1
InChIInChI=1S/2C10H18N2.2C10H17NO/c1-8(2)6-12-7-10(5-11-12)9(3)4;1-8(2)5-10-6-11-12(7-10)9(3)4;1-7(2)5-9-6-10(8(3)4)11-12-9;1-7(2)5-9-6-10(8(3)4)12-11-9/h5,7-9H,6H2,1-4H3;6-9H,5H2,1-4H3;2*6-8H,5H2,1-4H3
InChIKeyUGSKQQLGEMBBGL-UHFFFAOYSA-N
XLogP11.32
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.04
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-(2-methylpropyl)-1-propan-2-ylpyrazole with MolForge

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Related Compounds

4-{1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidinyl}-5-ethyl-3-methylisoxazole
CID 50808787
3-{1-[(1,3-Dimethyl-1H-pyrazol-4-YL)methyl]-2-pyrrolidinyl}-5-methylisoxazole
CID 53009603
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
3-[2-[1-(Difluoromethyl)pyrazol-4-yl]-2-methylpropyl]-5-propan-2-yl-1,2-oxazole
CID 138603727
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
4-{1-[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl}-3,5-dimethylisoxazole
CID 46990896
3-[(1,3-Dimethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole
CID 90921675
5-Ethyl-3-[5-(4-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2-oxazole
CID 137414929
3-[4-Methyl-4-(4-propan-2-ylpyrazol-1-yl)pentan-2-yl]-5-propan-2-yl-1,2-oxazole
CID 137414931
3-[5-[5-[2-(2,5-Dimethylpyrazol-3-yl)ethyl]-1-methylpyrazol-3-yl]pentan-2-yl]-5-methyl-1,2-oxazole
CID 145188649
3-[2,5-Dimethyl-5-(1-methylpyrazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole
CID 156528572

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-(2-methylpropyl)-1-propan-2-ylpyrazole?
The IUPAC name of 3-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-(2-methylpropyl)-1-propan-2-ylpyrazole (CID 161087512) is 3-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-(2-methylpropyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 3-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-(2-methylpropyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 3-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-(2-methylpropyl)-1-propan-2-ylpyrazole is CC(C)Cc1cc(C(C)C)no1.CC(C)Cc1cc(C(C)C)on1.CC(C)Cc1cnn(C(C)C)c1.CC(C)Cn1cc(C(C)C)cn1.
What is the InChIKey of 3-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-(2-methylpropyl)-1-propan-2-ylpyrazole?
The InChIKey is UGSKQQLGEMBBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18N2.2C10H17NO/c1-8(2)6-12-7-10(5-11-12)9(3)4;1-8(2)5-10-6-11-12(7-10)9(3)4;1-7(2)5-9-6-10(8(3)4)11-12-9;1-7(2)5-9-6-10(8(3)4)12-11-9/h5,7-9H,6H2,1-4H3;6-9H,5H2,1-4H3;2*6-8H,5H2,1-4H3.
What are the key properties of 3-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-(2-methylpropyl)-1-propan-2-ylpyrazole?
3-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-(2-methylpropyl)-1-propan-2-ylpyrazole has a molecular weight of 667.04 g/mol, XLogP of 11.32, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-(2-methylpropyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 161087512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).