2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole

C10H17NO2 — CID 57087934

IUPAC2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole
SMILESCOC(C)c1cnc(C(C)(C)C)o1
InChIInChI=1S/C10H17NO2/c1-7(12-5)8-6-11-9(13-8)10(2,3)4/h6-7H,1-5H3
InChIKeyNLEONWSDXOPEIB-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.68
Rot. Bonds2

About 2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole

2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole (PubChem CID 57087934) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole
PubChem CID57087934
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole
SMILESCOC(C)c1cnc(C(C)(C)C)o1
InChIInChI=1S/C10H17NO2/c1-7(12-5)8-6-11-9(13-8)10(2,3)4/h6-7H,1-5H3
InChIKeyNLEONWSDXOPEIB-UHFFFAOYSA-N
XLogP2.68
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-5-(methoxymethyl)-1,3-oxazole
CID 57110419
2-tert-butyl-5-(2,2-dimethylpropyl)-1,3-oxazole
CID 118391801
2-tert-butyl-5-(2-methoxyphenyl)-1,3-oxazole
CID 154771329
1-tert-butyl-4-(1-methoxyethyl)benzene
CID 15498380
2-tert-butyl-N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-1,3-oxazol-5-amine
CID 122693183
propan-2-yl N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-N-(propan-2-yloxycarbonylamino)carbamate
CID 102289136
5-tert-butyl-2-propan-2-yl-1,3-oxazole
CID 23571128
5-tert-butyl-3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one
CID 71851327
CID 162763152
CID 162763152
2-tert-butyl-6-[(1R)-1-methoxyethyl]pyridine
CID 153483634
2-tert-butyl-5-(oxolan-2-yl)-1,3-oxazole
CID 167415981
5-tert-butyl-2-[(1R)-1-chloroethyl]-1,3-oxazole
CID 93105065

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole?
The IUPAC name of 2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole (CID 57087934) is 2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole is COC(C)c1cnc(C(C)(C)C)o1.
What is the InChIKey of 2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole?
The InChIKey is NLEONWSDXOPEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(12-5)8-6-11-9(13-8)10(2,3)4/h6-7H,1-5H3.
What are the key properties of 2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole?
2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole has a molecular weight of 183.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole is sourced from PubChem (CID 57087934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).