5-methyl-2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;5-propan-2-yl-1H-pyrazole

C23H37N7O4 — CID 161127801

IUPAC5-methyl-2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;5-propan-2-yl-1H-pyrazole
SMILESCC(C)c1ccn[nH]1.CC(C)c1ncon1.CC(C)c1noc(=O)[nH]1.Cc1cnc(C(C)C)o1
InChIInChI=1S/C7H11NO.C6H10N2.C5H8N2O2.C5H8N2O/c1-5(2)7-8-4-6(3)9-7;1-5(2)6-3-4-7-8-6;1-3(2)4-6-5(8)9-7-4;1-4(2)5-6-3-8-7-5/h4-5H,1-3H3;3-5H,1-2H3,(H,7,8);3H,1-2H3,(H,6,7,8);3-4H,1-2H3
InChIKeyULUARDSWNGVRPQ-UHFFFAOYSA-N
MW475.59 g/mol
LogP5.32
Rot. Bonds4

About 5-methyl-2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;5-propan-2-yl-1H-pyrazole

5-methyl-2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;5-propan-2-yl-1H-pyrazole (PubChem CID 161127801) has the molecular formula C23H37N7O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;5-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;5-propan-2-yl-1H-pyrazole
PubChem CID161127801
Molecular FormulaC23H37N7O4
Molecular Weight475.59 g/mol
Exact Mass475.29
IUPAC Name5-methyl-2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;5-propan-2-yl-1H-pyrazole
SMILESCC(C)c1ccn[nH]1.CC(C)c1ncon1.CC(C)c1noc(=O)[nH]1.Cc1cnc(C(C)C)o1
InChIInChI=1S/C7H11NO.C6H10N2.C5H8N2O2.C5H8N2O/c1-5(2)7-8-4-6(3)9-7;1-5(2)6-3-4-7-8-6;1-3(2)4-6-5(8)9-7-4;1-4(2)5-6-3-8-7-5/h4-5H,1-3H3;3-5H,1-2H3,(H,7,8);3H,1-2H3,(H,6,7,8);3-4H,1-2H3
InChIKeyULUARDSWNGVRPQ-UHFFFAOYSA-N
XLogP5.32
TPSA152.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-methyl-2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;5-propan-2-yl-1H-pyrazole with MolForge

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Launch Full Analysis

Related Compounds

1,4-di(propan-2-yl)pyrazole;methane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole
CID 158811694

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;5-propan-2-yl-1H-pyrazole?
The IUPAC name of 5-methyl-2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;5-propan-2-yl-1H-pyrazole (CID 161127801) is 5-methyl-2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;5-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 5-methyl-2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;5-propan-2-yl-1H-pyrazole?
The canonical SMILES for 5-methyl-2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;5-propan-2-yl-1H-pyrazole is CC(C)c1ccn[nH]1.CC(C)c1ncon1.CC(C)c1noc(=O)[nH]1.Cc1cnc(C(C)C)o1.
What is the InChIKey of 5-methyl-2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;5-propan-2-yl-1H-pyrazole?
The InChIKey is ULUARDSWNGVRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.C6H10N2.C5H8N2O2.C5H8N2O/c1-5(2)7-8-4-6(3)9-7;1-5(2)6-3-4-7-8-6;1-3(2)4-6-5(8)9-7-4;1-4(2)5-6-3-8-7-5/h4-5H,1-3H3;3-5H,1-2H3,(H,7,8);3H,1-2H3,(H,6,7,8);3-4H,1-2H3.
What are the key properties of 5-methyl-2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;5-propan-2-yl-1H-pyrazole?
5-methyl-2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;5-propan-2-yl-1H-pyrazole has a molecular weight of 475.59 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;5-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 161127801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).