1-(5-bromo-2-cyclopropyl-1,3-benzoxazol-7-yl)ethanone

C12H10BrNO2 — CID 82233643

IUPAC1-(5-bromo-2-cyclopropyl-1,3-benzoxazol-7-yl)ethanone
SMILESCC(=O)c1cc(Br)cc2nc(C3CC3)oc12
InChIInChI=1S/C12H10BrNO2/c1-6(15)9-4-8(13)5-10-11(9)16-12(14-10)7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyDTPDFMUASGYXEE-UHFFFAOYSA-N
MW280.12 g/mol
LogP3.67
Rot. Bonds2

About 1-(5-bromo-2-cyclopropyl-1,3-benzoxazol-7-yl)ethanone

1-(5-bromo-2-cyclopropyl-1,3-benzoxazol-7-yl)ethanone (PubChem CID 82233643) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is 1-(5-bromo-2-cyclopropyl-1,3-benzoxazol-7-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2-cyclopropyl-1,3-benzoxazol-7-yl)ethanone
PubChem CID82233643
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name1-(5-bromo-2-cyclopropyl-1,3-benzoxazol-7-yl)ethanone
SMILESCC(=O)c1cc(Br)cc2nc(C3CC3)oc12
InChIInChI=1S/C12H10BrNO2/c1-6(15)9-4-8(13)5-10-11(9)16-12(14-10)7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyDTPDFMUASGYXEE-UHFFFAOYSA-N
XLogP3.67
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-7-tert-butyl-2-cyclopropyl-1,3-benzoxazole
CID 82233932
1-(5-bromo-2-ethyl-1,3-benzoxazol-7-yl)ethanone
CID 82233371
1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone
CID 82231282
1-(7-amino-2-cyclopropyl-1,3-benzoxazol-5-yl)ethanone
CID 82230704
5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole
CID 82234029
methyl 4-(5-bromo-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate
CID 135155937
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)ethanone;ethane
CID 178176303
1-[5-bromo-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]ethanone
CID 86788049
2-cyclopropyl-5,7-difluoro-1,3-benzoxazole
CID 82230076
cis-(1S,3R)-3-(5-bromo-1,3-benzoxazol-2-yl)cyclopentan-1-amine
CID 106323731
5-bromo-2-cyclopropylfuro[3,2-d][1,3]oxazole
CID 96602192
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82284648

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-cyclopropyl-1,3-benzoxazol-7-yl)ethanone?
The IUPAC name of 1-(5-bromo-2-cyclopropyl-1,3-benzoxazol-7-yl)ethanone (CID 82233643) is 1-(5-bromo-2-cyclopropyl-1,3-benzoxazol-7-yl)ethanone.
What is the SMILES notation for 1-(5-bromo-2-cyclopropyl-1,3-benzoxazol-7-yl)ethanone?
The canonical SMILES for 1-(5-bromo-2-cyclopropyl-1,3-benzoxazol-7-yl)ethanone is CC(=O)c1cc(Br)cc2nc(C3CC3)oc12.
What is the InChIKey of 1-(5-bromo-2-cyclopropyl-1,3-benzoxazol-7-yl)ethanone?
The InChIKey is DTPDFMUASGYXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c1-6(15)9-4-8(13)5-10-11(9)16-12(14-10)7-2-3-7/h4-5,7H,2-3H2,1H3.
What are the key properties of 1-(5-bromo-2-cyclopropyl-1,3-benzoxazol-7-yl)ethanone?
1-(5-bromo-2-cyclopropyl-1,3-benzoxazol-7-yl)ethanone has a molecular weight of 280.12 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-cyclopropyl-1,3-benzoxazol-7-yl)ethanone is sourced from PubChem (CID 82233643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).