2-(azocan-1-yl)-1,3-benzoxazol-5-amine

C14H19N3O — CID 79884635

IUPAC2-(azocan-1-yl)-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(N3CCCCCCC3)nc2c1
InChIInChI=1S/C14H19N3O/c15-11-6-7-13-12(10-11)16-14(18-13)17-8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9,15H2
InChIKeyRUVHRANLTPQCTL-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.18
Rot. Bonds1

About 2-(azocan-1-yl)-1,3-benzoxazol-5-amine

2-(azocan-1-yl)-1,3-benzoxazol-5-amine (PubChem CID 79884635) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(azocan-1-yl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(azocan-1-yl)-1,3-benzoxazol-5-amine
PubChem CID79884635
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(azocan-1-yl)-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(N3CCCCCCC3)nc2c1
InChIInChI=1S/C14H19N3O/c15-11-6-7-13-12(10-11)16-14(18-13)17-8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9,15H2
InChIKeyRUVHRANLTPQCTL-UHFFFAOYSA-N
XLogP3.18
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.18
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-(azepan-1-yl)-1,3-benzoxazol-6-amine
CID 79891137
2-(4,4-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890886
2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazol-5-amine
CID 79890290
2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890815
5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole
CID 119084724
2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890054
2-piperidin-1-yl-1,3-benzoxazole-5-carbonitrile
CID 141046607
5-phenyl-2-piperidin-1-yl-1,3-benzoxazole
CID 102300837
2-(azocan-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 79964558
2-(4-pyrrolidin-1-ylphenyl)-1,3-benzoxazol-5-amine
CID 25188057
4-(5-amino-1,3-benzoxazol-2-yl)piperazin-2-one
CID 79885735
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine
CID 155516154

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(azocan-1-yl)-1,3-benzoxazol-5-amine (CID 79884635) is 2-(azocan-1-yl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(azocan-1-yl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(azocan-1-yl)-1,3-benzoxazol-5-amine is Nc1ccc2oc(N3CCCCCCC3)nc2c1.
What is the InChIKey of 2-(azocan-1-yl)-1,3-benzoxazol-5-amine?
The InChIKey is RUVHRANLTPQCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-11-6-7-13-12(10-11)16-14(18-13)17-8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9,15H2.
What are the key properties of 2-(azocan-1-yl)-1,3-benzoxazol-5-amine?
2-(azocan-1-yl)-1,3-benzoxazol-5-amine has a molecular weight of 245.33 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 79884635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).