methyl 1-(6-bromo-1,3-benzoxazol-2-yl)cyclopropane-1-carboxylate

C12H10BrNO3 — CID 138109667

IUPACmethyl 1-(6-bromo-1,3-benzoxazol-2-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2nc3ccc(Br)cc3o2)CC1
InChIInChI=1S/C12H10BrNO3/c1-16-11(15)12(4-5-12)10-14-8-3-2-7(13)6-9(8)17-10/h2-3,6H,4-5H2,1H3
InChIKeyAQCJEGIKMWNBIU-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.79
Rot. Bonds2

About methyl 1-(6-bromo-1,3-benzoxazol-2-yl)cyclopropane-1-carboxylate

methyl 1-(6-bromo-1,3-benzoxazol-2-yl)cyclopropane-1-carboxylate (PubChem CID 138109667) has the molecular formula C12H10BrNO3 and a molecular weight of 296.12 g/mol. Its IUPAC name is methyl 1-(6-bromo-1,3-benzoxazol-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-bromo-1,3-benzoxazol-2-yl)cyclopropane-1-carboxylate
PubChem CID138109667
Molecular FormulaC12H10BrNO3
Molecular Weight296.12 g/mol
Exact Mass294.98
IUPAC Namemethyl 1-(6-bromo-1,3-benzoxazol-2-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2nc3ccc(Br)cc3o2)CC1
InChIInChI=1S/C12H10BrNO3/c1-16-11(15)12(4-5-12)10-14-8-3-2-7(13)6-9(8)17-10/h2-3,6H,4-5H2,1H3
InChIKeyAQCJEGIKMWNBIU-UHFFFAOYSA-N
XLogP2.79
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-(6-bromo-1,3-benzoxazol-2-yl)cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(1,3-benzoxazol-2-yl)cyclobutane-1-carboxylate
CID 116999937
methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate
CID 89448912
methyl 1-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylate
CID 116964024
methyl 1-(2-amino-5-bromophenyl)cyclopropane-1-carboxylate
CID 170008442
methyl 3-[4-[(6-bromo-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
CID 57240170
methyl 2-[4-[(6-bromo-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
CID 54135021
methyl 1-(5-bromo-2-cyanophenyl)cyclopropane-1-carboxylate
CID 155973059
N-(6-bromo-1,3-benzoxazol-2-yl)-N-methylacetamide
CID 71003694
methyl 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
CID 79733482
methyl 1-[4-(4-bromo-2-fluorophenyl)phenyl]cyclopropane-1-carboxylate
CID 71266207
methyl 1-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate
CID 116964001
methyl (3S)-7-bromo-3-methyl-1-oxo-4H-isochromene-3-carboxylate
CID 41493740

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-bromo-1,3-benzoxazol-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(6-bromo-1,3-benzoxazol-2-yl)cyclopropane-1-carboxylate (CID 138109667) is methyl 1-(6-bromo-1,3-benzoxazol-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(6-bromo-1,3-benzoxazol-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(6-bromo-1,3-benzoxazol-2-yl)cyclopropane-1-carboxylate is COC(=O)C1(c2nc3ccc(Br)cc3o2)CC1.
What is the InChIKey of methyl 1-(6-bromo-1,3-benzoxazol-2-yl)cyclopropane-1-carboxylate?
The InChIKey is AQCJEGIKMWNBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3/c1-16-11(15)12(4-5-12)10-14-8-3-2-7(13)6-9(8)17-10/h2-3,6H,4-5H2,1H3.
What are the key properties of methyl 1-(6-bromo-1,3-benzoxazol-2-yl)cyclopropane-1-carboxylate?
methyl 1-(6-bromo-1,3-benzoxazol-2-yl)cyclopropane-1-carboxylate has a molecular weight of 296.12 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-bromo-1,3-benzoxazol-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 138109667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).