3-methoxy-5-propan-2-yl-1,2-oxazole

C7H11NO2 — CID 58942652

IUPAC3-methoxy-5-propan-2-yl-1,2-oxazole
SMILESCOc1cc(C(C)C)on1
InChIInChI=1S/C7H11NO2/c1-5(2)6-4-7(9-3)8-10-6/h4-5H,1-3H3
InChIKeyDWLJKNABCMPHKF-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.81
Rot. Bonds2

About 3-methoxy-5-propan-2-yl-1,2-oxazole

3-methoxy-5-propan-2-yl-1,2-oxazole (PubChem CID 58942652) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-methoxy-5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-methoxy-5-propan-2-yl-1,2-oxazole
PubChem CID58942652
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-methoxy-5-propan-2-yl-1,2-oxazole
SMILESCOc1cc(C(C)C)on1
InChIInChI=1S/C7H11NO2/c1-5(2)6-4-7(9-3)8-10-6/h4-5H,1-3H3
InChIKeyDWLJKNABCMPHKF-UHFFFAOYSA-N
XLogP1.81
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-Methoxy-1,2-oxazol-5-yl)propanoic acid
CID 327719
1-(3-Methoxy-1,2-oxazol-5-yl)ethan-1-one
CID 12196361
2-(3-Methoxy-1,2-oxazol-5-yl)acetonitrile
CID 84762527
(5-cyclopropyl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
CID 118728304
(5-propan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
CID 118728305
(5-butan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
CID 118728307
(5-pentan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
CID 118728310
[5-(2-methylpropyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate
CID 118728312
2-(3-Methoxy-1,2-oxazol-5-yl)ethan-1-ol
CID 86116587
3-Methoxy-5-methylisoxazole
CID 11768539
5-Tert-butyl-3-(2,2,2-trifluoroethoxy)-1,2-oxazole
CID 59709219
[5-(1,1,1-Trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl] cyanate
CID 132034797

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-propan-2-yl-1,2-oxazole?
The IUPAC name of 3-methoxy-5-propan-2-yl-1,2-oxazole (CID 58942652) is 3-methoxy-5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 3-methoxy-5-propan-2-yl-1,2-oxazole?
The canonical SMILES for 3-methoxy-5-propan-2-yl-1,2-oxazole is COc1cc(C(C)C)on1.
What is the InChIKey of 3-methoxy-5-propan-2-yl-1,2-oxazole?
The InChIKey is DWLJKNABCMPHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5(2)6-4-7(9-3)8-10-6/h4-5H,1-3H3.
What are the key properties of 3-methoxy-5-propan-2-yl-1,2-oxazole?
3-methoxy-5-propan-2-yl-1,2-oxazole has a molecular weight of 141.17 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 58942652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).