2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-5-amine

C13H16N2O2 — CID 65155627

IUPAC2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(CCC3CCCO3)nc2c1
InChIInChI=1S/C13H16N2O2/c14-9-3-5-12-11(8-9)15-13(17-12)6-4-10-2-1-7-16-10/h3,5,8,10H,1-2,4,6-7,14H2
InChIKeyQYKAEZAGXZSYHB-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.52
Rot. Bonds3

About 2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-5-amine

2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-5-amine (PubChem CID 65155627) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-5-amine
PubChem CID65155627
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(CCC3CCCO3)nc2c1
InChIInChI=1S/C13H16N2O2/c14-9-3-5-12-11(8-9)15-13(17-12)6-4-10-2-1-7-16-10/h3,5,8,10H,1-2,4,6-7,14H2
InChIKeyQYKAEZAGXZSYHB-UHFFFAOYSA-N
XLogP2.52
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-6-amine
CID 113331588
2-(oxolan-2-ylmethylsulfanylmethyl)-1,3-benzoxazol-6-amine
CID 106494170
2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine
CID 55080127
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 115558977
2-(azocan-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 79964558
[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 65159736
2-[(2-methyloxolan-3-yl)sulfanylmethyl]-1,3-benzoxazol-5-amine
CID 107748267
2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3-benzoxazole-2,6-diamine
CID 79893343
2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine
CID 43383029
5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 61127124
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,3-benzoxazol-5-amine
CID 79959773
2-(oxolan-2-ylmethyl)-1,3-benzoxazole-6-carboxylic acid
CID 81358357

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-5-amine (CID 65155627) is 2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-5-amine is Nc1ccc2oc(CCC3CCCO3)nc2c1.
What is the InChIKey of 2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-5-amine?
The InChIKey is QYKAEZAGXZSYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-9-3-5-12-11(8-9)15-13(17-12)6-4-10-2-1-7-16-10/h3,5,8,10H,1-2,4,6-7,14H2.
What are the key properties of 2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-5-amine?
2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-5-amine has a molecular weight of 232.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 65155627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).