1-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclopentan-1-ol

C13H17N3O2 — CID 79892875

IUPAC1-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclopentan-1-ol
SMILESNc1ccc2nc(NCC3(O)CCCC3)oc2c1
InChIInChI=1S/C13H17N3O2/c14-9-3-4-10-11(7-9)18-12(16-10)15-8-13(17)5-1-2-6-13/h3-4,7,17H,1-2,5-6,8,14H2,(H,15,16)
InChIKeyOXAQXXQJGDRBHK-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.13
Rot. Bonds3

About 1-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclopentan-1-ol

1-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 79892875) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclopentan-1-ol
PubChem CID79892875
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclopentan-1-ol
SMILESNc1ccc2nc(NCC3(O)CCCC3)oc2c1
InChIInChI=1S/C13H17N3O2/c14-9-3-4-10-11(7-9)18-12(16-10)15-8-13(17)5-1-2-6-13/h3-4,7,17H,1-2,5-6,8,14H2,(H,15,16)
InChIKeyOXAQXXQJGDRBHK-UHFFFAOYSA-N
XLogP2.13
TPSA84.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1,3-benzoxazol-2-amine
CID 590605
2-(1,3-Benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one
CID 664331
N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)urea
CID 2824070
N-(1,3-benzoxazol-6-yl)-N'-phenylurea
CID 3845234
N-tert-butyl-6-nitro-1,3-benzoxazol-2-amine
CID 929489
4-Methyl-4-[(6-nitro-1,3-benzoxazol-2-yl)amino]pentan-2-one
CID 931425
2-Benzoxazolamine, N-2-propyn-1-yl-
CID 10583319
1-(1,3-benzoxazol-2-yl)-N-(2-cyclohex-1-en-1-ylethyl)piperidine-3-carboxamide
CID 3242798
N-(1,2-diphenylethyl)-5-methoxy-1,3-benzoxazol-2-amine
CID 10020389
N-(1,2-diphenylethyl)-1,3-benzoxazol-2-amine
CID 10380926
3-[(1,3-benzoxazol-2-ylamino)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
CID 454825
N-Benzyl-2-benzoxazolamine
CID 563453

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclopentan-1-ol (CID 79892875) is 1-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclopentan-1-ol is Nc1ccc2nc(NCC3(O)CCCC3)oc2c1.
What is the InChIKey of 1-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is OXAQXXQJGDRBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-9-3-4-10-11(7-9)18-12(16-10)15-8-13(17)5-1-2-6-13/h3-4,7,17H,1-2,5-6,8,14H2,(H,15,16).
What are the key properties of 1-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclopentan-1-ol?
1-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 247.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 79892875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).