2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine

C15H21N3O — CID 79890054

IUPAC2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine
SMILESCCCC1CCN(c2nc3cc(N)ccc3o2)CC1
InChIInChI=1S/C15H21N3O/c1-2-3-11-6-8-18(9-7-11)15-17-13-10-12(16)4-5-14(13)19-15/h4-5,10-11H,2-3,6-9,16H2,1H3
InChIKeyAFGRVQGKZBJVJU-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.43
Rot. Bonds3

About 2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine

2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine (PubChem CID 79890054) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine
PubChem CID79890054
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine
SMILESCCCC1CCN(c2nc3cc(N)ccc3o2)CC1
InChIInChI=1S/C15H21N3O/c1-2-3-11-6-8-18(9-7-11)15-17-13-10-12(16)4-5-14(13)19-15/h4-5,10-11H,2-3,6-9,16H2,1H3
InChIKeyAFGRVQGKZBJVJU-UHFFFAOYSA-N
XLogP3.43
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.43
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-[4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazol-5-amine
CID 79890290
2-(azocan-1-yl)-1,3-benzoxazol-5-amine
CID 79884635
2-(4,4-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890886
2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890815
[1-(6-amino-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
CID 79890926
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine
CID 155516154
[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
CID 172882629
2-(2,5-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890523
3-methyl-4-(4-propylpiperidin-1-yl)aniline
CID 62200933
2-N-[(1-ethylpiperidin-4-yl)methyl]-1,3-benzoxazole-2,5-diamine
CID 79890198
2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-benzoxazol-6-amine
CID 79893232
2-(3-methylpyrrolidin-1-yl)-1,3-benzoxazol-6-amine
CID 79893410

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine (CID 79890054) is 2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine is CCCC1CCN(c2nc3cc(N)ccc3o2)CC1.
What is the InChIKey of 2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine?
The InChIKey is AFGRVQGKZBJVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-3-11-6-8-18(9-7-11)15-17-13-10-12(16)4-5-14(13)19-15/h4-5,10-11H,2-3,6-9,16H2,1H3.
What are the key properties of 2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine?
2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine has a molecular weight of 259.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 79890054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).