7-ethyl-2-methyl-5-prop-1-en-2-yl-1,3-benzoxazole

C13H15NO — CID 126700996

IUPAC7-ethyl-2-methyl-5-prop-1-en-2-yl-1,3-benzoxazole
SMILESC=C(C)c1cc(CC)c2oc(C)nc2c1
InChIInChI=1S/C13H15NO/c1-5-10-6-11(8(2)3)7-12-13(10)15-9(4)14-12/h6-7H,2,5H2,1,3-4H3
InChIKeyAOIBMPSSQMBGRT-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.73
Rot. Bonds2

About 7-ethyl-2-methyl-5-prop-1-en-2-yl-1,3-benzoxazole

7-ethyl-2-methyl-5-prop-1-en-2-yl-1,3-benzoxazole (PubChem CID 126700996) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 7-ethyl-2-methyl-5-prop-1-en-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name7-ethyl-2-methyl-5-prop-1-en-2-yl-1,3-benzoxazole
PubChem CID126700996
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name7-ethyl-2-methyl-5-prop-1-en-2-yl-1,3-benzoxazole
SMILESC=C(C)c1cc(CC)c2oc(C)nc2c1
InChIInChI=1S/C13H15NO/c1-5-10-6-11(8(2)3)7-12-13(10)15-9(4)14-12/h6-7H,2,5H2,1,3-4H3
InChIKeyAOIBMPSSQMBGRT-UHFFFAOYSA-N
XLogP3.73
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-7-[2-[(5-methoxy-2-methyl-1,3-benzoxazol-7-yl)methyl]prop-2-enyl]-2-methyl-1,3-benzoxazole
CID 11057943
2-methyl-7-[2-[[2-methyl-5-(4-methylphenyl)-1,3-benzoxazol-7-yl]methyl]prop-2-enyl]-5-(4-methylphenyl)-1,3-benzoxazole
CID 101135064
2-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)acetic acid
CID 83903209
7-bromo-2-methyl-1,3-benzoxazole-5-carboxylic acid
CID 83901167
2,5-dimethyl-1,3-benzoxazole-7-carboxylic acid
CID 69088021
5-bromo-2-methyl-1,3-benzoxazol-7-ol
CID 125494330
bis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone
CID 54475373
1-(7-chloro-2-ethyl-1,3-benzoxazol-5-yl)ethanone
CID 82231129
1-(7-amino-2-ethyl-1,3-benzoxazol-5-yl)ethanone
CID 82230247
2-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)acetic acid
CID 84779330
5-chloro-2-methyl-6,7-di(propan-2-yl)-1,3-benzoxazole
CID 176945226
1-(2-methyl-1,3-benzoxazol-5-yl)-2-methylsulfanylethanone
CID 116830140

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-methyl-5-prop-1-en-2-yl-1,3-benzoxazole?
The IUPAC name of 7-ethyl-2-methyl-5-prop-1-en-2-yl-1,3-benzoxazole (CID 126700996) is 7-ethyl-2-methyl-5-prop-1-en-2-yl-1,3-benzoxazole.
What is the SMILES notation for 7-ethyl-2-methyl-5-prop-1-en-2-yl-1,3-benzoxazole?
The canonical SMILES for 7-ethyl-2-methyl-5-prop-1-en-2-yl-1,3-benzoxazole is C=C(C)c1cc(CC)c2oc(C)nc2c1.
What is the InChIKey of 7-ethyl-2-methyl-5-prop-1-en-2-yl-1,3-benzoxazole?
The InChIKey is AOIBMPSSQMBGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-5-10-6-11(8(2)3)7-12-13(10)15-9(4)14-12/h6-7H,2,5H2,1,3-4H3.
What are the key properties of 7-ethyl-2-methyl-5-prop-1-en-2-yl-1,3-benzoxazole?
7-ethyl-2-methyl-5-prop-1-en-2-yl-1,3-benzoxazole has a molecular weight of 201.27 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-methyl-5-prop-1-en-2-yl-1,3-benzoxazole is sourced from PubChem (CID 126700996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).