1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol

C11H14N2O2 — CID 63118851

IUPAC1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1nc2ccccc2o1
InChIInChI=1S/C11H14N2O2/c1-11(2,14)7-12-10-13-8-5-3-4-6-9(8)15-10/h3-6,14H,7H2,1-2H3,(H,12,13)
InChIKeyIEJRLUCFVIXHKT-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.01
Rot. Bonds3

About 1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol

1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol (PubChem CID 63118851) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol
PubChem CID63118851
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1nc2ccccc2o1
InChIInChI=1S/C11H14N2O2/c1-11(2,14)7-12-10-13-8-5-3-4-6-9(8)15-10/h3-6,14H,7H2,1-2H3,(H,12,13)
InChIKeyIEJRLUCFVIXHKT-UHFFFAOYSA-N
XLogP2.01
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloropropyl)-1,3-benzoxazol-2-amine
CID 65027470
N-propyl-1,3-benzoxazol-2-amine
CID 584386
2-(1,3-benzoxazol-2-ylamino)-2-methylpropan-1-ol
CID 60969632
4-(1,3-benzoxazol-2-ylamino)-2,2-dimethylbutanoic acid
CID 114285537
2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide
CID 36581358
2-methyl-1-[(6-nitro-1,3-benzoxazol-2-yl)amino]propan-2-ol
CID 79883984
N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine
CID 102913887
methyl 3-(1,3-benzoxazol-2-ylamino)propanoate
CID 47277708
2-(1,3-benzoxazol-2-ylamino)-N,N-dimethylacetamide
CID 60707856
3-(1,3-benzoxazol-2-ylamino)-3-methylbutan-2-ol
CID 115865807
3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid
CID 106108341
3-(1,3-benzoxazol-2-ylamino)-N,N-dimethylpropanamide
CID 47281823

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol (CID 63118851) is 1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol is CC(C)(O)CNc1nc2ccccc2o1.
What is the InChIKey of 1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol?
The InChIKey is IEJRLUCFVIXHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(2,14)7-12-10-13-8-5-3-4-6-9(8)15-10/h3-6,14H,7H2,1-2H3,(H,12,13).
What are the key properties of 1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol?
1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol has a molecular weight of 206.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 63118851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).