2-methoxy-5-(2-methylpropyl)-1,3-benzoxazole

C12H15NO2 — CID 59731320

IUPAC2-methoxy-5-(2-methylpropyl)-1,3-benzoxazole
SMILESCOc1nc2cc(CC(C)C)ccc2o1
InChIInChI=1S/C12H15NO2/c1-8(2)6-9-4-5-11-10(7-9)13-12(14-3)15-11/h4-5,7-8H,6H2,1-3H3
InChIKeyFCYQGVASXVRELR-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.03
Rot. Bonds3

About 2-methoxy-5-(2-methylpropyl)-1,3-benzoxazole

2-methoxy-5-(2-methylpropyl)-1,3-benzoxazole (PubChem CID 59731320) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-methoxy-5-(2-methylpropyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-methoxy-5-(2-methylpropyl)-1,3-benzoxazole
PubChem CID59731320
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-methoxy-5-(2-methylpropyl)-1,3-benzoxazole
SMILESCOc1nc2cc(CC(C)C)ccc2o1
InChIInChI=1S/C12H15NO2/c1-8(2)6-9-4-5-11-10(7-9)13-12(14-3)15-11/h4-5,7-8H,6H2,1-3H3
InChIKeyFCYQGVASXVRELR-UHFFFAOYSA-N
XLogP3.03
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole
CID 82230675
1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-2-amine
CID 83888273
2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-benzoxazole
CID 82233469
2-amino-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)propanoic acid
CID 117373393
5-(chloromethyl)-2-ethoxy-1,3-benzoxazole
CID 130895736
6-(2-methylpropyl)-1,2,3,4-benzotetrazine
CID 138666997
5-(bromomethyl)-2-propan-2-yl-1,3-benzoxazole
CID 15662276
1-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]propan-2-amine
CID 84704388
2-methyl-1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]propan-1-one
CID 82294744
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 70753555
5,6-dimethoxy-2-(2-methylpropyl)-1,3-benzoxazole
CID 82231715
1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]ethanone
CID 82285127

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-methylpropyl)-1,3-benzoxazole?
The IUPAC name of 2-methoxy-5-(2-methylpropyl)-1,3-benzoxazole (CID 59731320) is 2-methoxy-5-(2-methylpropyl)-1,3-benzoxazole.
What is the SMILES notation for 2-methoxy-5-(2-methylpropyl)-1,3-benzoxazole?
The canonical SMILES for 2-methoxy-5-(2-methylpropyl)-1,3-benzoxazole is COc1nc2cc(CC(C)C)ccc2o1.
What is the InChIKey of 2-methoxy-5-(2-methylpropyl)-1,3-benzoxazole?
The InChIKey is FCYQGVASXVRELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(2)6-9-4-5-11-10(7-9)13-12(14-3)15-11/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 2-methoxy-5-(2-methylpropyl)-1,3-benzoxazole?
2-methoxy-5-(2-methylpropyl)-1,3-benzoxazole has a molecular weight of 205.26 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2-methylpropyl)-1,3-benzoxazole is sourced from PubChem (CID 59731320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).