1-(3-cyclobutyl-1,2-benzoxazol-6-yl)ethanamine

C13H16N2O — CID 105470013

IUPAC1-(3-cyclobutyl-1,2-benzoxazol-6-yl)ethanamine
SMILESCC(N)c1ccc2c(C3CCC3)noc2c1
InChIInChI=1S/C13H16N2O/c1-8(14)10-5-6-11-12(7-10)16-15-13(11)9-3-2-4-9/h5-9H,2-4,14H2,1H3
InChIKeyNURIECHWBJHBLB-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.12
Rot. Bonds2

About 1-(3-cyclobutyl-1,2-benzoxazol-6-yl)ethanamine

1-(3-cyclobutyl-1,2-benzoxazol-6-yl)ethanamine (PubChem CID 105470013) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(3-cyclobutyl-1,2-benzoxazol-6-yl)ethanamine.

Molecular Properties

Compound Name1-(3-cyclobutyl-1,2-benzoxazol-6-yl)ethanamine
PubChem CID105470013
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(3-cyclobutyl-1,2-benzoxazol-6-yl)ethanamine
SMILESCC(N)c1ccc2c(C3CCC3)noc2c1
InChIInChI=1S/C13H16N2O/c1-8(14)10-5-6-11-12(7-10)16-15-13(11)9-3-2-4-9/h5-9H,2-4,14H2,1H3
InChIKeyNURIECHWBJHBLB-UHFFFAOYSA-N
XLogP3.12
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-propan-2-yl-1,2-benzoxazol-6-yl)ethanamine
CID 105456484
(3-cyclohexyl-1,2-benzoxazol-6-yl) sulfamate
CID 23117134
2-(3-cyclopropyl-1,2-benzoxazol-5-yl)propanoic acid
CID 105489080
6-chloro-3-(1-propan-2-ylpiperidin-4-yl)-1,2-benzoxazole
CID 58720317
6-methoxy-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
CID 52983604
3-cyclopropyl-1,2-benzoxazol-5-ol
CID 105435987
1-(3-methyl-2,1-benzoxazol-5-yl)ethanamine
CID 105436496
3-(1-chloropiperidin-4-yl)-6-fluoro-1,2-benzoxazole
CID 89080294
1-(3-bromo-4-cyclopentylphenyl)ethanamine
CID 83844709
1-(3-bromo-4-cyclohexylphenyl)ethanamine
CID 117453319
acetaldehyde;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole
CID 158743343
1-(2-cyclopropyl-1-benzofuran-5-yl)ethanamine
CID 134393277

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-1,2-benzoxazol-6-yl)ethanamine?
The IUPAC name of 1-(3-cyclobutyl-1,2-benzoxazol-6-yl)ethanamine (CID 105470013) is 1-(3-cyclobutyl-1,2-benzoxazol-6-yl)ethanamine.
What is the SMILES notation for 1-(3-cyclobutyl-1,2-benzoxazol-6-yl)ethanamine?
The canonical SMILES for 1-(3-cyclobutyl-1,2-benzoxazol-6-yl)ethanamine is CC(N)c1ccc2c(C3CCC3)noc2c1.
What is the InChIKey of 1-(3-cyclobutyl-1,2-benzoxazol-6-yl)ethanamine?
The InChIKey is NURIECHWBJHBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8(14)10-5-6-11-12(7-10)16-15-13(11)9-3-2-4-9/h5-9H,2-4,14H2,1H3.
What are the key properties of 1-(3-cyclobutyl-1,2-benzoxazol-6-yl)ethanamine?
1-(3-cyclobutyl-1,2-benzoxazol-6-yl)ethanamine has a molecular weight of 216.28 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-1,2-benzoxazol-6-yl)ethanamine is sourced from PubChem (CID 105470013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).