ethane;(3-methyl-2,1-benzoxazol-7-yl)methanamine

C11H16N2O — CID 176569868

IUPACethane;(3-methyl-2,1-benzoxazol-7-yl)methanamine
SMILESCC.Cc1onc2c(CN)cccc12
InChIInChI=1S/C9H10N2O.C2H6/c1-6-8-4-2-3-7(5-10)9(8)11-12-6;1-2/h2-4H,5,10H2,1H3;1-2H3
InChIKeyFSRBRFLWXXEAKP-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.62
Rot. Bonds1

About ethane;(3-methyl-2,1-benzoxazol-7-yl)methanamine

ethane;(3-methyl-2,1-benzoxazol-7-yl)methanamine (PubChem CID 176569868) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is ethane;(3-methyl-2,1-benzoxazol-7-yl)methanamine.

Molecular Properties

Compound Nameethane;(3-methyl-2,1-benzoxazol-7-yl)methanamine
PubChem CID176569868
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Nameethane;(3-methyl-2,1-benzoxazol-7-yl)methanamine
SMILESCC.Cc1onc2c(CN)cccc12
InChIInChI=1S/C9H10N2O.C2H6/c1-6-8-4-2-3-7(5-10)9(8)11-12-6;1-2/h2-4H,5,10H2,1H3;1-2H3
InChIKeyFSRBRFLWXXEAKP-UHFFFAOYSA-N
XLogP2.62
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)ethanamine
CID 82410494
[3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
CID 112607696
(3-propan-2-yl-2H-indazol-7-yl)methanamine
CID 105443889
(3-ethyl-2H-indazol-7-yl)methanamine
CID 105436214
(2-chloro-1,3-benzothiazol-4-yl)methanamine
CID 154208853
(8-methylquinolin-4-yl)methanamine
CID 66637118
(1-methylisoquinolin-4-yl)methanamine
CID 105435219
[3-(aminomethyl)-2-methylphenyl]methanol
CID 45091737
3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-amine
CID 83877468
(8-fluoro-4-methylquinazolin-2-yl)methanamine
CID 84771826
[2-(1,2-benzoxazol-3-yl)phenyl]methanamine
CID 18357457
[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methanamine;hydrochloride
CID 155943661

Frequently Asked Questions

What is the IUPAC name of ethane;(3-methyl-2,1-benzoxazol-7-yl)methanamine?
The IUPAC name of ethane;(3-methyl-2,1-benzoxazol-7-yl)methanamine (CID 176569868) is ethane;(3-methyl-2,1-benzoxazol-7-yl)methanamine.
What is the SMILES notation for ethane;(3-methyl-2,1-benzoxazol-7-yl)methanamine?
The canonical SMILES for ethane;(3-methyl-2,1-benzoxazol-7-yl)methanamine is CC.Cc1onc2c(CN)cccc12.
What is the InChIKey of ethane;(3-methyl-2,1-benzoxazol-7-yl)methanamine?
The InChIKey is FSRBRFLWXXEAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.C2H6/c1-6-8-4-2-3-7(5-10)9(8)11-12-6;1-2/h2-4H,5,10H2,1H3;1-2H3.
What are the key properties of ethane;(3-methyl-2,1-benzoxazol-7-yl)methanamine?
ethane;(3-methyl-2,1-benzoxazol-7-yl)methanamine has a molecular weight of 192.26 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-methyl-2,1-benzoxazol-7-yl)methanamine is sourced from PubChem (CID 176569868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).