3-methyl-5-(2-methylbutyl)-1,2-oxazole

C9H15NO — CID 89112070

IUPAC3-methyl-5-(2-methylbutyl)-1,2-oxazole
SMILESCCC(C)Cc1cc(C)no1
InChIInChI=1S/C9H15NO/c1-4-7(2)5-9-6-8(3)10-11-9/h6-7H,4-5H2,1-3H3
InChIKeyMEHABOTVLGVJRY-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.57
Rot. Bonds3

About 3-methyl-5-(2-methylbutyl)-1,2-oxazole

3-methyl-5-(2-methylbutyl)-1,2-oxazole (PubChem CID 89112070) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-methyl-5-(2-methylbutyl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(2-methylbutyl)-1,2-oxazole
PubChem CID89112070
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-methyl-5-(2-methylbutyl)-1,2-oxazole
SMILESCCC(C)Cc1cc(C)no1
InChIInChI=1S/C9H15NO/c1-4-7(2)5-9-6-8(3)10-11-9/h6-7H,4-5H2,1-3H3
InChIKeyMEHABOTVLGVJRY-UHFFFAOYSA-N
XLogP2.57
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-methyl-1-(3-methyl-1,2-oxazol-5-yl)pentan-2-amine
CID 167047354
1-butan-2-yl-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
CID 119115431
5-heptyl-3-methyl-1,2-oxazole
CID 57223532
1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanamine
CID 68534767
3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]butan-2-ol
CID 103705992
2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide
CID 90537585
3-chloro-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide
CID 62726666
5-methyl-3-(2-methylbutyl)-1,2,4-oxadiazole
CID 89019114
(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid
CID 83195269
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine
CID 63594677
1-(4-ethylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60719398
2,6-ditert-butyl-4-[1-hydroxy-2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol
CID 11674356

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylbutyl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(2-methylbutyl)-1,2-oxazole (CID 89112070) is 3-methyl-5-(2-methylbutyl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(2-methylbutyl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(2-methylbutyl)-1,2-oxazole is CCC(C)Cc1cc(C)no1.
What is the InChIKey of 3-methyl-5-(2-methylbutyl)-1,2-oxazole?
The InChIKey is MEHABOTVLGVJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-7(2)5-9-6-8(3)10-11-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-methyl-5-(2-methylbutyl)-1,2-oxazole?
3-methyl-5-(2-methylbutyl)-1,2-oxazole has a molecular weight of 153.22 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylbutyl)-1,2-oxazole is sourced from PubChem (CID 89112070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).