2-(2-methylpentan-2-yl)-1,3-benzoxazole

C13H17NO — CID 139407128

IUPAC2-(2-methylpentan-2-yl)-1,3-benzoxazole
SMILESCCCC(C)(C)c1nc2ccccc2o1
InChIInChI=1S/C13H17NO/c1-4-9-13(2,3)12-14-10-7-5-6-8-11(10)15-12/h5-8H,4,9H2,1-3H3
InChIKeyKIZIZPXRTFDXRA-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.91
Rot. Bonds3

About 2-(2-methylpentan-2-yl)-1,3-benzoxazole

2-(2-methylpentan-2-yl)-1,3-benzoxazole (PubChem CID 139407128) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-(2-methylpentan-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-methylpentan-2-yl)-1,3-benzoxazole
PubChem CID139407128
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-(2-methylpentan-2-yl)-1,3-benzoxazole
SMILESCCCC(C)(C)c1nc2ccccc2o1
InChIInChI=1S/C13H17NO/c1-4-9-13(2,3)12-14-10-7-5-6-8-11(10)15-12/h5-8H,4,9H2,1-3H3
InChIKeyKIZIZPXRTFDXRA-UHFFFAOYSA-N
XLogP3.91
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylpentan-3-yl)-1,3-benzoxazole
CID 70835474
2-(2-methyl-1-methylsulfanylpropan-2-yl)-1,3-benzoxazole
CID 10489184
(1R)-1-(1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)butan-1-ol
CID 171485639
tert-butyl N-[1-(1,3-benzoxazol-2-yl)-1-hydroxybutyl]carbamate
CID 91179644
1-(1,3-benzoxazol-2-yl)-1-(methylamino)ethanol
CID 150066000
2-[bromo(difluoro)methyl]-1,3-benzoxazole
CID 10681971
2-[2-(benzotriazol-1-yl)decan-2-yl]-1,3-benzoxazole
CID 3709135
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzoxazole
CID 87259215
N-propyl-1,3-benzoxazol-2-amine
CID 584386
2-ethyl-1,3-benzoxazole
CID 23239
N-[2-(1,3-benzoxazol-2-yl)propan-2-yl]-2-chloroacetamide
CID 166429094
1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoroethane-1,1-diol
CID 119082013

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentan-2-yl)-1,3-benzoxazole?
The IUPAC name of 2-(2-methylpentan-2-yl)-1,3-benzoxazole (CID 139407128) is 2-(2-methylpentan-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(2-methylpentan-2-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(2-methylpentan-2-yl)-1,3-benzoxazole is CCCC(C)(C)c1nc2ccccc2o1.
What is the InChIKey of 2-(2-methylpentan-2-yl)-1,3-benzoxazole?
The InChIKey is KIZIZPXRTFDXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-4-9-13(2,3)12-14-10-7-5-6-8-11(10)15-12/h5-8H,4,9H2,1-3H3.
What are the key properties of 2-(2-methylpentan-2-yl)-1,3-benzoxazole?
2-(2-methylpentan-2-yl)-1,3-benzoxazole has a molecular weight of 203.28 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 139407128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).