carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole

C11H11NO3 — CID 162219580

IUPACcarbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole
SMILESCCc1ccc2oc(C)nc2c1.O=C=O
InChIInChI=1S/C10H11NO.CO2/c1-3-8-4-5-10-9(6-8)11-7(2)12-10;2-1-3/h4-6H,3H2,1-2H3;
InChIKeyZTXZYNKZLBNCRI-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.12
Rot. Bonds1

About carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole

carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole (PubChem CID 162219580) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Namecarbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole
PubChem CID162219580
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namecarbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole
SMILESCCc1ccc2oc(C)nc2c1.O=C=O
InChIInChI=1S/C10H11NO.CO2/c1-3-8-4-5-10-9(6-8)11-7(2)12-10;2-1-3/h4-6H,3H2,1-2H3;
InChIKeyZTXZYNKZLBNCRI-UHFFFAOYSA-N
XLogP2.12
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine
CID 170202374
N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimine
CID 143344954
2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole
CID 116932187
N-ethyl-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
CID 115259635
2,5-dimethyl-1,3-benzoxazole;ethane;1-ethyl-4-propan-2-ylbenzene
CID 170641256
5-ethyl-1,3-benzoxazole-2-sulfonyl chloride
CID 131279795
2-methyl-1-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,2-diamine
CID 115135941
methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid
CID 115171032
N-[1-(4-ethylphenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 43110726
2,2-difluoro-3-(2-methyl-1,3-benzoxazol-5-yl)propanoic acid
CID 116838289
2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide
CID 110773772

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole?
The IUPAC name of carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole (CID 162219580) is carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole.
What is the SMILES notation for carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole?
The canonical SMILES for carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole is CCc1ccc2oc(C)nc2c1.O=C=O.
What is the InChIKey of carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole?
The InChIKey is ZTXZYNKZLBNCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.CO2/c1-3-8-4-5-10-9(6-8)11-7(2)12-10;2-1-3/h4-6H,3H2,1-2H3;.
What are the key properties of carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole?
carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole has a molecular weight of 205.21 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 162219580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).