1-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-2-methylpropan-2-ol

C13H19N3O2 — CID 79893182

IUPAC1-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc2ccc(N)cc2o1
InChIInChI=1S/C13H19N3O2/c1-4-16(8-13(2,3)17)12-15-10-6-5-9(14)7-11(10)18-12/h5-7,17H,4,8,14H2,1-3H3
InChIKeyNINANKUGVRRMGV-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.01
Rot. Bonds4

About 1-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-2-methylpropan-2-ol

1-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-2-methylpropan-2-ol (PubChem CID 79893182) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-2-methylpropan-2-ol
PubChem CID79893182
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc2ccc(N)cc2o1
InChIInChI=1S/C13H19N3O2/c1-4-16(8-13(2,3)17)12-15-10-6-5-9(14)7-11(10)18-12/h5-7,17H,4,8,14H2,1-3H3
InChIKeyNINANKUGVRRMGV-UHFFFAOYSA-N
XLogP2.01
TPSA75.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(Piperazin-1-yl)-1,3-benzoxazole
CID 647818
5-Methoxy-1,3-benzoxazol-2-amine
CID 46387
N-methyl-1,3-benzoxazol-2-amine
CID 590605
2-[4-(2,2-Dimethylpropanoyl)piperazin-1-yl]-1,3-benzoxazole
CID 1504182
N-[5-(3-methoxypropyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]-1,3-benzoxazol-2-amine
CID 2003439
N-Benzooxazol-2-yl-N'-propionyl-guanidine
CID 15997479
N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)urea
CID 2824070
2-(Morpholin-4-yl)-1,3-benzoxazole
CID 589769
N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea
CID 1472997
N-(1,3-benzoxazol-6-yl)-N'-phenylurea
CID 3845234
N-6-Benzoxazolyl-N'-ethylthiourea
CID 3845244
2-(4-(Benzo[d]oxazol-2-ylimino)-1,3,5-triazinan-1-yl)ethanol
CID 756025

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-2-methylpropan-2-ol (CID 79893182) is 1-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1nc2ccc(N)cc2o1.
What is the InChIKey of 1-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-2-methylpropan-2-ol?
The InChIKey is NINANKUGVRRMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-16(8-13(2,3)17)12-15-10-6-5-9(14)7-11(10)18-12/h5-7,17H,4,8,14H2,1-3H3.
What are the key properties of 1-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-2-methylpropan-2-ol?
1-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-2-methylpropan-2-ol has a molecular weight of 249.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 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)-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79893182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).