3-(2-aminoethoxy)-1,2-benzoxazole-4-carbonitrile

C10H9N3O2 — CID 10420409

IUPAC3-(2-aminoethoxy)-1,2-benzoxazole-4-carbonitrile
SMILESN#Cc1cccc2onc(OCCN)c12
InChIInChI=1S/C10H9N3O2/c11-4-5-14-10-9-7(6-12)2-1-3-8(9)15-13-10/h1-3H,4-5,11H2
InChIKeyFPYHDQYHBLQBFJ-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.04
Rot. Bonds3

About 3-(2-aminoethoxy)-1,2-benzoxazole-4-carbonitrile

3-(2-aminoethoxy)-1,2-benzoxazole-4-carbonitrile (PubChem CID 10420409) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-1,2-benzoxazole-4-carbonitrile.

Molecular Properties

Compound Name3-(2-aminoethoxy)-1,2-benzoxazole-4-carbonitrile
PubChem CID10420409
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name3-(2-aminoethoxy)-1,2-benzoxazole-4-carbonitrile
SMILESN#Cc1cccc2onc(OCCN)c12
InChIInChI=1S/C10H9N3O2/c11-4-5-14-10-9-7(6-12)2-1-3-8(9)15-13-10/h1-3H,4-5,11H2
InChIKeyFPYHDQYHBLQBFJ-UHFFFAOYSA-N
XLogP1.04
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-aminoethoxy)-1,2-benzoxazole-4-carboxamide
CID 18696060
3-(2-aminoethoxy)-1,2-benzoxazol-7-ol
CID 84665269
2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile
CID 107061653
2-[(4-iodo-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine
CID 19596727
3-[2-(2-aminoethoxy)ethoxy]-1-benzofuran-2-carbonitrile
CID 103482585
6-(2-aminoethoxy)-5-chloro-2-methylpyridine-3-carbonitrile
CID 130594861
4-ethynyl-1,2-benzoxazol-3-amine
CID 167736135
4-[(4-fluoro-1,2-benzoxazol-3-yl)oxymethyl]piperidine-1-carboxylic acid
CID 123461122
2-(aminomethyl)-1,3-benzoxazole-4-carbonitrile
CID 118808821
N-(2-aminoethoxy)-1,2-benzoxazol-3-amine
CID 18696093
2,3-dimethyl-1-benzofuran-4-carbonitrile
CID 82653298
2-(2-aminoethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 62347989

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-1,2-benzoxazole-4-carbonitrile?
The IUPAC name of 3-(2-aminoethoxy)-1,2-benzoxazole-4-carbonitrile (CID 10420409) is 3-(2-aminoethoxy)-1,2-benzoxazole-4-carbonitrile.
What is the SMILES notation for 3-(2-aminoethoxy)-1,2-benzoxazole-4-carbonitrile?
The canonical SMILES for 3-(2-aminoethoxy)-1,2-benzoxazole-4-carbonitrile is N#Cc1cccc2onc(OCCN)c12.
What is the InChIKey of 3-(2-aminoethoxy)-1,2-benzoxazole-4-carbonitrile?
The InChIKey is FPYHDQYHBLQBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-4-5-14-10-9-7(6-12)2-1-3-8(9)15-13-10/h1-3H,4-5,11H2.
What are the key properties of 3-(2-aminoethoxy)-1,2-benzoxazole-4-carbonitrile?
3-(2-aminoethoxy)-1,2-benzoxazole-4-carbonitrile has a molecular weight of 203.20 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-1,2-benzoxazole-4-carbonitrile is sourced from PubChem (CID 10420409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).