1-[(4-amino-1,3-benzoxazol-2-yl)amino]-2,4-dimethylpentan-2-ol

C14H21N3O2 — CID 79893328

IUPAC1-[(4-amino-1,3-benzoxazol-2-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNc1nc2c(N)cccc2o1
InChIInChI=1S/C14H21N3O2/c1-9(2)7-14(3,18)8-16-13-17-12-10(15)5-4-6-11(12)19-13/h4-6,9,18H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyHANLRMKZINDJSV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.62
Rot. Bonds5

About 1-[(4-amino-1,3-benzoxazol-2-yl)amino]-2,4-dimethylpentan-2-ol

1-[(4-amino-1,3-benzoxazol-2-yl)amino]-2,4-dimethylpentan-2-ol (PubChem CID 79893328) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[(4-amino-1,3-benzoxazol-2-yl)amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(4-amino-1,3-benzoxazol-2-yl)amino]-2,4-dimethylpentan-2-ol
PubChem CID79893328
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[(4-amino-1,3-benzoxazol-2-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNc1nc2c(N)cccc2o1
InChIInChI=1S/C14H21N3O2/c1-9(2)7-14(3,18)8-16-13-17-12-10(15)5-4-6-11(12)19-13/h4-6,9,18H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyHANLRMKZINDJSV-UHFFFAOYSA-N
XLogP2.62
TPSA84.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.62
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

3-[(4-amino-1,3-benzoxazol-2-yl)amino]-2-methylpropan-1-ol
CID 79893465
2-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzoxazole-2,4-diamine
CID 106289807
2-N-(2,3-dimethylbutyl)-1,3-benzoxazole-2,4-diamine
CID 79892513
2-N-(2-propan-2-yloxyethyl)-1,3-benzoxazole-2,4-diamine
CID 104758666
2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethanol
CID 79890543
1-(3-amino-2-methylanilino)-2,4-dimethylpentan-2-ol
CID 66180708
3-[(4-amino-1,3-benzoxazol-2-yl)amino]propanamide
CID 79890103
2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-benzoxazole-2,4-diamine
CID 79892955
3-[(4-amino-1,3-benzoxazol-2-yl)amino]-4-methylpentan-1-ol
CID 114176695
2-N-pentan-3-yl-1,3-benzoxazole-2,4-diamine
CID 79890155
2-[(4-amino-1,3-benzoxazol-2-yl)amino]-1-thiophen-3-ylethanol
CID 106434509
2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethyl carbamate
CID 83202383

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-1,3-benzoxazol-2-yl)amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(4-amino-1,3-benzoxazol-2-yl)amino]-2,4-dimethylpentan-2-ol (CID 79893328) is 1-[(4-amino-1,3-benzoxazol-2-yl)amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(4-amino-1,3-benzoxazol-2-yl)amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(4-amino-1,3-benzoxazol-2-yl)amino]-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNc1nc2c(N)cccc2o1.
What is the InChIKey of 1-[(4-amino-1,3-benzoxazol-2-yl)amino]-2,4-dimethylpentan-2-ol?
The InChIKey is HANLRMKZINDJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)7-14(3,18)8-16-13-17-12-10(15)5-4-6-11(12)19-13/h4-6,9,18H,7-8,15H2,1-3H3,(H,16,17).
What are the key properties of 1-[(4-amino-1,3-benzoxazol-2-yl)amino]-2,4-dimethylpentan-2-ol?
1-[(4-amino-1,3-benzoxazol-2-yl)amino]-2,4-dimethylpentan-2-ol has a molecular weight of 263.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-1,3-benzoxazol-2-yl)amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 79893328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).