5-ethyl-3-methyl-1,2-benzoxazole

C10H11NO — CID 70293590

IUPAC5-ethyl-3-methyl-1,2-benzoxazole
SMILESCCc1ccc2onc(C)c2c1
InChIInChI=1S/C10H11NO/c1-3-8-4-5-10-9(6-8)7(2)11-12-10/h4-6H,3H2,1-2H3
InChIKeyVKADRLWQUCKFBX-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.70
Rot. Bonds1

About 5-ethyl-3-methyl-1,2-benzoxazole

5-ethyl-3-methyl-1,2-benzoxazole (PubChem CID 70293590) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 5-ethyl-3-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name5-ethyl-3-methyl-1,2-benzoxazole
PubChem CID70293590
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name5-ethyl-3-methyl-1,2-benzoxazole
SMILESCCc1ccc2onc(C)c2c1
InChIInChI=1S/C10H11NO/c1-3-8-4-5-10-9(6-8)7(2)11-12-10/h4-6H,3H2,1-2H3
InChIKeyVKADRLWQUCKFBX-UHFFFAOYSA-N
XLogP2.70
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-1,2-benzoxazol-5-yl)methanol
CID 84651532
ethane;5-ethyl-1,2-benzoxazol-3-amine
CID 143324107
3,5-dimethyl-1,2-benzoxazole
CID 4283186
3-(2-chloroethyl)-5-ethyl-1,2-benzoxazole
CID 39097321
ethane;3-methyl-1,2-benzoxazole;propane
CID 143892351
(3-methyl-1,2-benzoxazol-5-yl)boronic acid
CID 90733121
ethane;6-ethyl-1,2-benzoxazol-3-amine
CID 143545769
2-(3-ethyl-1,2-benzoxazol-5-yl)acetic acid
CID 105457087
2-(3-methyl-1,2-benzoxazol-5-yl)-2-oxoacetic acid
CID 117293081
1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carbaldehyde
CID 121258466
6-(isocyanatomethyl)-3-methyl-1,2-benzoxazole
CID 117281046
4-(3-methyl-1,2-benzoxazol-6-yl)butan-1-amine
CID 117292848

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-1,2-benzoxazole?
The IUPAC name of 5-ethyl-3-methyl-1,2-benzoxazole (CID 70293590) is 5-ethyl-3-methyl-1,2-benzoxazole.
What is the SMILES notation for 5-ethyl-3-methyl-1,2-benzoxazole?
The canonical SMILES for 5-ethyl-3-methyl-1,2-benzoxazole is CCc1ccc2onc(C)c2c1.
What is the InChIKey of 5-ethyl-3-methyl-1,2-benzoxazole?
The InChIKey is VKADRLWQUCKFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-3-8-4-5-10-9(6-8)7(2)11-12-10/h4-6H,3H2,1-2H3.
What are the key properties of 5-ethyl-3-methyl-1,2-benzoxazole?
5-ethyl-3-methyl-1,2-benzoxazole has a molecular weight of 161.20 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-1,2-benzoxazole is sourced from PubChem (CID 70293590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).