5-chloro-2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-6-amine

C13H15ClN2O2 — CID 113331588

IUPAC5-chloro-2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-6-amine
SMILESNc1cc2oc(CCC3CCCO3)nc2cc1Cl
InChIInChI=1S/C13H15ClN2O2/c14-9-6-11-12(7-10(9)15)18-13(16-11)4-3-8-2-1-5-17-8/h6-8H,1-5,15H2
InChIKeyJMFIDVMDVMKIES-UHFFFAOYSA-N
MW266.73 g/mol
LogP3.17
Rot. Bonds3

About 5-chloro-2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-6-amine

5-chloro-2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-6-amine (PubChem CID 113331588) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 5-chloro-2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name5-chloro-2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-6-amine
PubChem CID113331588
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name5-chloro-2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-6-amine
SMILESNc1cc2oc(CCC3CCCO3)nc2cc1Cl
InChIInChI=1S/C13H15ClN2O2/c14-9-6-11-12(7-10(9)15)18-13(16-11)4-3-8-2-1-5-17-8/h6-8H,1-5,15H2
InChIKeyJMFIDVMDVMKIES-UHFFFAOYSA-N
XLogP3.17
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 53.17
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

2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-5-amine
CID 65155627
5-chloro-2-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-6-amine
CID 115539881
(6-amino-5-chloro-1,3-benzoxazol-2-yl)methanol
CID 91636106
5-chloro-2-(2,2-dimethylpropyl)-1,3-benzoxazol-6-amine
CID 115539596
[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 65159736
2-(oxolan-2-ylmethylsulfanylmethyl)-1,3-benzoxazol-6-amine
CID 106494170
2-(oxolan-2-ylmethyl)-1,3-benzoxazole-6-carboxylic acid
CID 81358357
5-chloro-6-fluoro-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole
CID 82720864
2-(oxan-2-ylmethyl)-1,3-benzoxazole-6-carboxylic acid
CID 81357413
3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline
CID 65159099
5-chloro-2-[(3-chlorophenyl)methyl]-1,3-benzoxazol-6-amine
CID 115539645
3-(5,6-dichloro-1,3-benzoxazol-2-yl)propan-1-amine
CID 82232079

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-6-amine?
The IUPAC name of 5-chloro-2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-6-amine (CID 113331588) is 5-chloro-2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-6-amine.
What is the SMILES notation for 5-chloro-2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-6-amine?
The canonical SMILES for 5-chloro-2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-6-amine is Nc1cc2oc(CCC3CCCO3)nc2cc1Cl.
What is the InChIKey of 5-chloro-2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-6-amine?
The InChIKey is JMFIDVMDVMKIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-9-6-11-12(7-10(9)15)18-13(16-11)4-3-8-2-1-5-17-8/h6-8H,1-5,15H2.
What are the key properties of 5-chloro-2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-6-amine?
5-chloro-2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-6-amine has a molecular weight of 266.73 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-6-amine is sourced from PubChem (CID 113331588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).