7-bromo-2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole

C14H16BrNO — CID 82233933

IUPAC7-bromo-2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole
SMILESCc1cc(C)c2nc(C3CCCC3)oc2c1Br
InChIInChI=1S/C14H16BrNO/c1-8-7-9(2)12-13(11(8)15)17-14(16-12)10-5-3-4-6-10/h7,10H,3-6H2,1-2H3
InChIKeyZBCXLFXRCVWSBU-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.86
Rot. Bonds1

About 7-bromo-2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole

7-bromo-2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole (PubChem CID 82233933) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 7-bromo-2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole.

Molecular Properties

Compound Name7-bromo-2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole
PubChem CID82233933
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name7-bromo-2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole
SMILESCc1cc(C)c2nc(C3CCCC3)oc2c1Br
InChIInChI=1S/C14H16BrNO/c1-8-7-9(2)12-13(11(8)15)17-14(16-12)10-5-3-4-6-10/h7,10H,3-6H2,1-2H3
InChIKeyZBCXLFXRCVWSBU-UHFFFAOYSA-N
XLogP4.86
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole
CID 82230679
7-bromo-2-(2,2-dimethylpropyl)-4,6-dimethyl-1,3-benzoxazole
CID 82233986
7-bromo-4,6-dimethyl-2-phenyl-1,3-benzoxazole
CID 82234163
5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole
CID 82234029
2-cyclohexyl-4-hydroxy-1,3-benzoxazole-5,7-disulfonyl chloride
CID 87722830
3-(7-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)propanoic acid
CID 82234026
7-bromo-2-cyclopropyl-4-methoxy-1,3-benzoxazole
CID 168875554
2-cyclopentyl-7-ethyl-1,3-benzoxazol-5-amine
CID 82231333
5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine
CID 82231734
2-cyclopentyl-5-methyl-[1,3]oxazolo[5,4-b]pyridin-6-amine
CID 115030156
7-tert-butyl-2-cyclohexyl-1,3-benzoxazol-5-amine
CID 94979355
5-bromo-7-tert-butyl-2-cyclopropyl-1,3-benzoxazole
CID 82233932

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole?
The IUPAC name of 7-bromo-2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole (CID 82233933) is 7-bromo-2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole.
What is the SMILES notation for 7-bromo-2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole?
The canonical SMILES for 7-bromo-2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole is Cc1cc(C)c2nc(C3CCCC3)oc2c1Br.
What is the InChIKey of 7-bromo-2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole?
The InChIKey is ZBCXLFXRCVWSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-8-7-9(2)12-13(11(8)15)17-14(16-12)10-5-3-4-6-10/h7,10H,3-6H2,1-2H3.
What are the key properties of 7-bromo-2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole?
7-bromo-2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole has a molecular weight of 294.19 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole is sourced from PubChem (CID 82233933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).