2-(1,2-benzoxazol-6-yl)propan-1-amine

C10H12N2O — CID 82599064

IUPAC2-(1,2-benzoxazol-6-yl)propan-1-amine
SMILESCC(CN)c1ccc2cnoc2c1
InChIInChI=1S/C10H12N2O/c1-7(5-11)8-2-3-9-6-12-13-10(9)4-8/h2-4,6-7H,5,11H2,1H3
InChIKeyUPYACBJQWZDMPA-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.89
Rot. Bonds2

About 2-(1,2-benzoxazol-6-yl)propan-1-amine

2-(1,2-benzoxazol-6-yl)propan-1-amine (PubChem CID 82599064) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-6-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1,2-benzoxazol-6-yl)propan-1-amine
PubChem CID82599064
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-(1,2-benzoxazol-6-yl)propan-1-amine
SMILESCC(CN)c1ccc2cnoc2c1
InChIInChI=1S/C10H12N2O/c1-7(5-11)8-2-3-9-6-12-13-10(9)4-8/h2-4,6-7H,5,11H2,1H3
InChIKeyUPYACBJQWZDMPA-UHFFFAOYSA-N
XLogP1.89
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(difluoromethyl)-1,2-benzoxazole
CID 84653295
2-isoquinolin-6-ylpropan-1-amine
CID 117280533
5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,2-benzoxazole
CID 138644732
2-(2-bromo-1-benzofuran-5-yl)propan-1-amine
CID 83900835
2-(1,2-benzoxazol-6-yloxy)ethanamine
CID 84656369
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
N,N-diethyl-1,2-benzoxazol-6-amine
CID 10821519
(2S)-2-(4-bromophenyl)propan-1-amine
CID 23566380
5-(4-propan-2-ylphenyl)-1,2-benzoxazole
CID 146554947
2-quinolin-6-ylpropan-1-amine
CID 79002101
5-(1-aminopropan-2-yl)-2-bromoaniline
CID 84692433

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-6-yl)propan-1-amine?
The IUPAC name of 2-(1,2-benzoxazol-6-yl)propan-1-amine (CID 82599064) is 2-(1,2-benzoxazol-6-yl)propan-1-amine.
What is the SMILES notation for 2-(1,2-benzoxazol-6-yl)propan-1-amine?
The canonical SMILES for 2-(1,2-benzoxazol-6-yl)propan-1-amine is CC(CN)c1ccc2cnoc2c1.
What is the InChIKey of 2-(1,2-benzoxazol-6-yl)propan-1-amine?
The InChIKey is UPYACBJQWZDMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7(5-11)8-2-3-9-6-12-13-10(9)4-8/h2-4,6-7H,5,11H2,1H3.
What are the key properties of 2-(1,2-benzoxazol-6-yl)propan-1-amine?
2-(1,2-benzoxazol-6-yl)propan-1-amine has a molecular weight of 176.22 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-6-yl)propan-1-amine is sourced from PubChem (CID 82599064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).