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

C12H16N2O2 — CID 115865807

IUPAC3-(1,3-benzoxazol-2-ylamino)-3-methylbutan-2-ol
SMILESCC(O)C(C)(C)Nc1nc2ccccc2o1
InChIInChI=1S/C12H16N2O2/c1-8(15)12(2,3)14-11-13-9-6-4-5-7-10(9)16-11/h4-8,15H,1-3H3,(H,13,14)
InChIKeyFZYYTUDKASAKRL-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.40
Rot. Bonds3

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

3-(1,3-benzoxazol-2-ylamino)-3-methylbutan-2-ol (PubChem CID 115865807) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-ylamino)-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-ylamino)-3-methylbutan-2-ol
PubChem CID115865807
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(1,3-benzoxazol-2-ylamino)-3-methylbutan-2-ol
SMILESCC(O)C(C)(C)Nc1nc2ccccc2o1
InChIInChI=1S/C12H16N2O2/c1-8(15)12(2,3)14-11-13-9-6-4-5-7-10(9)16-11/h4-8,15H,1-3H3,(H,13,14)
InChIKeyFZYYTUDKASAKRL-UHFFFAOYSA-N
XLogP2.40
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-2-ylamino)-2-methylpropan-1-ol
CID 60969632
2-N-(1,3-benzoxazol-2-yl)-2,4-dimethylpentane-1,2-diamine
CID 113283917
N-(2-cyclopropylpropan-2-yl)-1,3-benzoxazol-2-amine
CID 103703598
N-(2-chloropropyl)-1,3-benzoxazol-2-amine
CID 65027470
1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol
CID 63118851
2-(1,3-benzoxazol-2-ylamino)-2-ethylpropane-1,3-diol
CID 113252094
N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine
CID 102913887
N-(1-phenylethyl)-1,3-benzoxazol-2-amine
CID 47146208
N'-(1,3-benzoxazol-2-yl)-2-methylpropane-1,3-diamine
CID 65035675
N-propyl-1,3-benzoxazol-2-amine
CID 584386
2-N-(1,3-benzoxazol-2-yl)-2-cyclopropylpropane-1,2-diamine
CID 113283613
methyl 3-(1,3-benzoxazol-2-ylamino)-2-methylpropanoate
CID 67445136

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-ylamino)-3-methylbutan-2-ol?
The IUPAC name of 3-(1,3-benzoxazol-2-ylamino)-3-methylbutan-2-ol (CID 115865807) is 3-(1,3-benzoxazol-2-ylamino)-3-methylbutan-2-ol.
What is the SMILES notation for 3-(1,3-benzoxazol-2-ylamino)-3-methylbutan-2-ol?
The canonical SMILES for 3-(1,3-benzoxazol-2-ylamino)-3-methylbutan-2-ol is CC(O)C(C)(C)Nc1nc2ccccc2o1.
What is the InChIKey of 3-(1,3-benzoxazol-2-ylamino)-3-methylbutan-2-ol?
The InChIKey is FZYYTUDKASAKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(15)12(2,3)14-11-13-9-6-4-5-7-10(9)16-11/h4-8,15H,1-3H3,(H,13,14).
What are the key properties of 3-(1,3-benzoxazol-2-ylamino)-3-methylbutan-2-ol?
3-(1,3-benzoxazol-2-ylamino)-3-methylbutan-2-ol has a molecular weight of 220.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-ylamino)-3-methylbutan-2-ol is sourced from PubChem (CID 115865807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).