2-(3-methylbutoxy)-1,3-oxazole

C8H13NO2 — CID 59855688

IUPAC2-(3-methylbutoxy)-1,3-oxazole
SMILESCC(C)CCOc1ncco1
InChIInChI=1S/C8H13NO2/c1-7(2)3-5-10-8-9-4-6-11-8/h4,6-7H,3,5H2,1-2H3
InChIKeyNJWSPKSGXHCVDG-UHFFFAOYSA-N
MW155.20 g/mol
LogP2.10
Rot. Bonds4

About 2-(3-methylbutoxy)-1,3-oxazole

2-(3-methylbutoxy)-1,3-oxazole (PubChem CID 59855688) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-1,3-oxazole.

Molecular Properties

Compound Name2-(3-methylbutoxy)-1,3-oxazole
PubChem CID59855688
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-(3-methylbutoxy)-1,3-oxazole
SMILESCC(C)CCOc1ncco1
InChIInChI=1S/C8H13NO2/c1-7(2)3-5-10-8-9-4-6-11-8/h4,6-7H,3,5H2,1-2H3
InChIKeyNJWSPKSGXHCVDG-UHFFFAOYSA-N
XLogP2.10
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(3-methylbutoxy)pyrimidine
CID 176962478
5-iodo-2-(3-methylbutoxy)pyrimidine
CID 116649142
[4-(3-methylbutoxy)pyrimidin-2-yl]hydrazine
CID 80909283
2-chloro-4-(3-methylbutoxy)pyridine
CID 63777400
2-methyl-5-(3-methylbutoxy)pyrazine
CID 176962198
tert-butyl-dimethyl-(1,3-oxazol-2-yloxy)silane
CID 158223424
4-methyl-N-(1,3-oxazol-2-yl)pentanamide
CID 130711285
[4-(3-methylbutoxy)-3-pyridinyl]methanamine
CID 81255354
2-(2-methylpropylsulfanyl)-1,3-oxazole
CID 59202102
tris(2-methylpropyl)-(1,3-oxazol-2-yl)stannane
CID 142789943
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
2-[5-(3-methylbutoxy)pyrimidin-2-yl]ethanol
CID 168997935

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-1,3-oxazole?
The IUPAC name of 2-(3-methylbutoxy)-1,3-oxazole (CID 59855688) is 2-(3-methylbutoxy)-1,3-oxazole.
What is the SMILES notation for 2-(3-methylbutoxy)-1,3-oxazole?
The canonical SMILES for 2-(3-methylbutoxy)-1,3-oxazole is CC(C)CCOc1ncco1.
What is the InChIKey of 2-(3-methylbutoxy)-1,3-oxazole?
The InChIKey is NJWSPKSGXHCVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7(2)3-5-10-8-9-4-6-11-8/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 2-(3-methylbutoxy)-1,3-oxazole?
2-(3-methylbutoxy)-1,3-oxazole has a molecular weight of 155.20 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-1,3-oxazole is sourced from PubChem (CID 59855688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).