5-methyl-3-propan-2-yl-1,2,4-oxadiazole

C6H10N2O — CID 18785175

IUPAC5-methyl-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nc(C(C)C)no1
InChIInChI=1S/C6H10N2O/c1-4(2)6-7-5(3)9-8-6/h4H,1-3H3
InChIKeyWZCPELGQNQALKK-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.50
Rot. Bonds1

About 5-methyl-3-propan-2-yl-1,2,4-oxadiazole

5-methyl-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 18785175) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 5-methyl-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID18785175
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name5-methyl-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nc(C(C)C)no1
InChIInChI=1S/C6H10N2O/c1-4(2)6-7-5(3)9-8-6/h4H,1-3H3
InChIKeyWZCPELGQNQALKK-UHFFFAOYSA-N
XLogP1.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75525832
5-methyl-3-(2-methylpentan-3-yl)-1,2,4-oxadiazole
CID 91277135
(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 93243352
N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 130626350
5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 90326086
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 25219499
2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 102547892
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62676276
5-methyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,2,4-oxadiazole
CID 47025975
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 25220842
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)prop-2-enoic acid
CID 131261246
(E)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)prop-2-enoic acid
CID 83764682

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-propan-2-yl-1,2,4-oxadiazole (CID 18785175) is 5-methyl-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-propan-2-yl-1,2,4-oxadiazole is Cc1nc(C(C)C)no1.
What is the InChIKey of 5-methyl-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is WZCPELGQNQALKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-4(2)6-7-5(3)9-8-6/h4H,1-3H3.
What are the key properties of 5-methyl-3-propan-2-yl-1,2,4-oxadiazole?
5-methyl-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 126.16 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 18785175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).