ethane;3-methyl-1,2-benzoxazole;propane

C15H27NO — CID 143892351

IUPACethane;3-methyl-1,2-benzoxazole;propane
SMILESCC.CC.CCC.Cc1noc2ccccc12
InChIInChI=1S/C8H7NO.C3H8.2C2H6/c1-6-7-4-2-3-5-8(7)10-9-6;1-3-2;2*1-2/h2-5H,1H3;3H2,1-2H3;2*1-2H3
InChIKeyMWOFZARTHNREHH-UHFFFAOYSA-N
MW237.39 g/mol
LogP5.60
Rot. Bonds

About ethane;3-methyl-1,2-benzoxazole;propane

ethane;3-methyl-1,2-benzoxazole;propane (PubChem CID 143892351) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;3-methyl-1,2-benzoxazole;propane.

Molecular Properties

Compound Nameethane;3-methyl-1,2-benzoxazole;propane
PubChem CID143892351
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Nameethane;3-methyl-1,2-benzoxazole;propane
SMILESCC.CC.CCC.Cc1noc2ccccc12
InChIInChI=1S/C8H7NO.C3H8.2C2H6/c1-6-7-4-2-3-5-8(7)10-9-6;1-3-2;2*1-2/h2-5H,1H3;3H2,1-2H3;2*1-2H3
InChIKeyMWOFZARTHNREHH-UHFFFAOYSA-N
XLogP5.60
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.39
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(bromomethyl)-1,2-benzoxazole
CID 3499189
5-ethyl-3-methyl-1,2-benzoxazole
CID 70293590
3,5-dimethyl-1,2-benzoxazole
CID 4283186
6-ethoxy-3-methyl-1,2-benzoxazole
CID 119094129
3-(methoxymethyl)-1,2-benzoxazole
CID 119083448
3-(2-methylpropyl)-1,2-benzoxazole
CID 20826787
potassium;ethane;3-methyl-6H-1,2-benzoxazol-6-ide
CID 169219888
3-methyl-1,2-benzoxazol-4-ol
CID 135429940
N-(1,2-benzoxazol-3-ylmethyl)-N-benzylethanamine
CID 171690997
1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane
CID 144673526
3-(2,2-dimethylpropyl)-1,2-benzoxazole;methane
CID 162069739
3-(3-bromopropyl)-1,2-benzoxazole
CID 118498285

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,2-benzoxazole;propane?
The IUPAC name of ethane;3-methyl-1,2-benzoxazole;propane (CID 143892351) is ethane;3-methyl-1,2-benzoxazole;propane.
What is the SMILES notation for ethane;3-methyl-1,2-benzoxazole;propane?
The canonical SMILES for ethane;3-methyl-1,2-benzoxazole;propane is CC.CC.CCC.Cc1noc2ccccc12.
What is the InChIKey of ethane;3-methyl-1,2-benzoxazole;propane?
The InChIKey is MWOFZARTHNREHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.C3H8.2C2H6/c1-6-7-4-2-3-5-8(7)10-9-6;1-3-2;2*1-2/h2-5H,1H3;3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;3-methyl-1,2-benzoxazole;propane?
ethane;3-methyl-1,2-benzoxazole;propane has a molecular weight of 237.39 g/mol, XLogP of 5.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,2-benzoxazole;propane is sourced from PubChem (CID 143892351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).