(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)methanamine

C10H11BrN2O — CID 82232637

IUPAC(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)methanamine
SMILESCCc1cc(Br)c2oc(CN)nc2c1
InChIInChI=1S/C10H11BrN2O/c1-2-6-3-7(11)10-8(4-6)13-9(5-12)14-10/h3-4H,2,5,12H2,1H3
InChIKeyBNLRKLMEFDTPIC-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.61
Rot. Bonds2

About (7-bromo-5-ethyl-1,3-benzoxazol-2-yl)methanamine

(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)methanamine (PubChem CID 82232637) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is (7-bromo-5-ethyl-1,3-benzoxazol-2-yl)methanamine.

Molecular Properties

Compound Name(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)methanamine
PubChem CID82232637
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)methanamine
SMILESCCc1cc(Br)c2oc(CN)nc2c1
InChIInChI=1S/C10H11BrN2O/c1-2-6-3-7(11)10-8(4-6)13-9(5-12)14-10/h3-4H,2,5,12H2,1H3
InChIKeyBNLRKLMEFDTPIC-UHFFFAOYSA-N
XLogP2.61
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-2-ethyl-5-propyl-1,3-benzoxazole
CID 82233377
(5-bromo-6,7-dimethyl-1,3-benzoxazol-2-yl)methanamine
CID 82232643
3-bromo-4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)aniline
CID 95910791
4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)-2-chloroaniline
CID 50874428
7-bromo-2-(4-bromo-3-chlorophenyl)-5-ethyl-1,3-benzoxazole
CID 94675137
2-benzhydryl-7-bromo-5-ethyl-1,3-benzoxazole
CID 91673766
5-ethyl-2-(2-phenylethyl)-1,3-benzoxazol-7-amine
CID 82095491
(5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine
CID 79001891
7-bromo-5-tert-butyl-2-propyl-1,3-benzoxazole
CID 82233973
7-bromo-5-butyl-2-methyl-1,3-benzoxazole
CID 82233379
(7-ethyl-1,3-benzoxazol-2-yl)methanamine
CID 82229700
[6-(bromomethyl)-1,3-benzoxazol-2-yl]methanamine
CID 118825667

Frequently Asked Questions

What is the IUPAC name of (7-bromo-5-ethyl-1,3-benzoxazol-2-yl)methanamine?
The IUPAC name of (7-bromo-5-ethyl-1,3-benzoxazol-2-yl)methanamine (CID 82232637) is (7-bromo-5-ethyl-1,3-benzoxazol-2-yl)methanamine.
What is the SMILES notation for (7-bromo-5-ethyl-1,3-benzoxazol-2-yl)methanamine?
The canonical SMILES for (7-bromo-5-ethyl-1,3-benzoxazol-2-yl)methanamine is CCc1cc(Br)c2oc(CN)nc2c1.
What is the InChIKey of (7-bromo-5-ethyl-1,3-benzoxazol-2-yl)methanamine?
The InChIKey is BNLRKLMEFDTPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-2-6-3-7(11)10-8(4-6)13-9(5-12)14-10/h3-4H,2,5,12H2,1H3.
What are the key properties of (7-bromo-5-ethyl-1,3-benzoxazol-2-yl)methanamine?
(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)methanamine has a molecular weight of 255.11 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-5-ethyl-1,3-benzoxazol-2-yl)methanamine is sourced from PubChem (CID 82232637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).