5-bromo-7-ethyl-2-(2-methylpropyl)-1,3-benzoxazole

C13H16BrNO — CID 82233690

IUPAC5-bromo-7-ethyl-2-(2-methylpropyl)-1,3-benzoxazole
SMILESCCc1cc(Br)cc2nc(CC(C)C)oc12
InChIInChI=1S/C13H16BrNO/c1-4-9-6-10(14)7-11-13(9)16-12(15-11)5-8(2)3/h6-8H,4-5H2,1-3H3
InChIKeyKCKVVYUVCJVRNU-UHFFFAOYSA-N
MW282.18 g/mol
LogP4.35
Rot. Bonds3

About 5-bromo-7-ethyl-2-(2-methylpropyl)-1,3-benzoxazole

5-bromo-7-ethyl-2-(2-methylpropyl)-1,3-benzoxazole (PubChem CID 82233690) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 5-bromo-7-ethyl-2-(2-methylpropyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-bromo-7-ethyl-2-(2-methylpropyl)-1,3-benzoxazole
PubChem CID82233690
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name5-bromo-7-ethyl-2-(2-methylpropyl)-1,3-benzoxazole
SMILESCCc1cc(Br)cc2nc(CC(C)C)oc12
InChIInChI=1S/C13H16BrNO/c1-4-9-6-10(14)7-11-13(9)16-12(15-11)5-8(2)3/h6-8H,4-5H2,1-3H3
InChIKeyKCKVVYUVCJVRNU-UHFFFAOYSA-N
XLogP4.35
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(2-methylbutyl)-1,3-benzoxazol-7-amine
CID 114874873
1-(5-bromo-2-ethyl-1,3-benzoxazol-7-yl)ethanone
CID 82233371
5-bromo-2-(2,4,4-trimethylpentyl)-1,3-benzoxazol-7-amine
CID 104728776
2-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)acetic acid
CID 83903209
5-bromo-2-butyl-1,3-benzoxazol-7-amine
CID 104728838
7-bromo-2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine
CID 84708458
5-bromo-2-(bromomethyl)-7-chloro-1,3-benzoxazole
CID 155295915
2-methyl-1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]propan-1-one
CID 82294744
3-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)propanoic acid
CID 82233736
4-bromo-2,6-diethylpyridine;hydrochloride
CID 127264197
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 5-bromo-7-ethyl-2-(2-methylpropyl)-1,3-benzoxazole?
The IUPAC name of 5-bromo-7-ethyl-2-(2-methylpropyl)-1,3-benzoxazole (CID 82233690) is 5-bromo-7-ethyl-2-(2-methylpropyl)-1,3-benzoxazole.
What is the SMILES notation for 5-bromo-7-ethyl-2-(2-methylpropyl)-1,3-benzoxazole?
The canonical SMILES for 5-bromo-7-ethyl-2-(2-methylpropyl)-1,3-benzoxazole is CCc1cc(Br)cc2nc(CC(C)C)oc12.
What is the InChIKey of 5-bromo-7-ethyl-2-(2-methylpropyl)-1,3-benzoxazole?
The InChIKey is KCKVVYUVCJVRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-4-9-6-10(14)7-11-13(9)16-12(15-11)5-8(2)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-bromo-7-ethyl-2-(2-methylpropyl)-1,3-benzoxazole?
5-bromo-7-ethyl-2-(2-methylpropyl)-1,3-benzoxazole has a molecular weight of 282.18 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-ethyl-2-(2-methylpropyl)-1,3-benzoxazole is sourced from PubChem (CID 82233690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).