2-methoxy-4-methyl-5-propan-2-yl-1,3-oxazole

C8H13NO2 — CID 134224933

IUPAC2-methoxy-4-methyl-5-propan-2-yl-1,3-oxazole
SMILESCOc1nc(C)c(C(C)C)o1
InChIInChI=1S/C8H13NO2/c1-5(2)7-6(3)9-8(10-4)11-7/h5H,1-4H3
InChIKeySZXSEEKKSXACPK-UHFFFAOYSA-N
MW155.20 g/mol
LogP2.12
Rot. Bonds2

About 2-methoxy-4-methyl-5-propan-2-yl-1,3-oxazole

2-methoxy-4-methyl-5-propan-2-yl-1,3-oxazole (PubChem CID 134224933) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-methoxy-4-methyl-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-methoxy-4-methyl-5-propan-2-yl-1,3-oxazole
PubChem CID134224933
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-methoxy-4-methyl-5-propan-2-yl-1,3-oxazole
SMILESCOc1nc(C)c(C(C)C)o1
InChIInChI=1S/C8H13NO2/c1-5(2)7-6(3)9-8(10-4)11-7/h5H,1-4H3
InChIKeySZXSEEKKSXACPK-UHFFFAOYSA-N
XLogP2.12
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethyl-2-isopropyl-4-methyloxazole
CID 586570
4-Methyl-2-methylsulfanyl-5-propan-2-yl-1,3-oxazole
CID 134224932
4-Methyl-5-propan-2-yl-2-propyl-1,3-oxazole
CID 134224934
2-Chloro-4-methyl-5-propan-2-yl-1,3-oxazole
CID 134225003
2,5-Di(propan-2-yl)-4-(trifluoromethyl)-1,3-oxazole
CID 58428484
2-Methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
CID 68235773
5-Tert-butyl-2-fluoro-4-methyl-1,3-oxazole
CID 146378574
5-Tert-butyl-2-methoxy-4-(trifluoromethyl)-1,3-oxazole
CID 146379105
5-Tert-butyl-4-(difluoromethyl)-2-fluoro-1,3-oxazole
CID 153449522
5-Tert-butyl-4-(difluoromethyl)-2-methoxy-1,3-oxazole
CID 153449683
5-Propan-2-yl-2-(3,3,3-trifluoropropoxy)-1,3-oxazole-4-carbonitrile
CID 169162932
4-Methyl-5-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole
CID 169163080

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-methoxy-4-methyl-5-propan-2-yl-1,3-oxazole (CID 134224933) is 2-methoxy-4-methyl-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-methoxy-4-methyl-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-methoxy-4-methyl-5-propan-2-yl-1,3-oxazole is COc1nc(C)c(C(C)C)o1.
What is the InChIKey of 2-methoxy-4-methyl-5-propan-2-yl-1,3-oxazole?
The InChIKey is SZXSEEKKSXACPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5(2)7-6(3)9-8(10-4)11-7/h5H,1-4H3.
What are the key properties of 2-methoxy-4-methyl-5-propan-2-yl-1,3-oxazole?
2-methoxy-4-methyl-5-propan-2-yl-1,3-oxazole has a molecular weight of 155.20 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 134224933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).