3-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-2-methylbutan-2-ol

C14H20N2O2 — CID 65337571

IUPAC3-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-2-methylbutan-2-ol
SMILESCCc1nc2cc(NC(C)C(C)(C)O)ccc2o1
InChIInChI=1S/C14H20N2O2/c1-5-13-16-11-8-10(6-7-12(11)18-13)15-9(2)14(3,4)17/h6-9,15,17H,5H2,1-4H3
InChIKeyZISIOKRXYSELOP-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.96
Rot. Bonds4

About 3-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-2-methylbutan-2-ol

3-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-2-methylbutan-2-ol (PubChem CID 65337571) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-2-methylbutan-2-ol
PubChem CID65337571
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-2-methylbutan-2-ol
SMILESCCc1nc2cc(NC(C)C(C)(C)O)ccc2o1
InChIInChI=1S/C14H20N2O2/c1-5-13-16-11-8-10(6-7-12(11)18-13)15-9(2)14(3,4)17/h6-9,15,17H,5H2,1-4H3
InChIKeyZISIOKRXYSELOP-UHFFFAOYSA-N
XLogP2.96
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine
CID 54866667
2-ethyl-N-methyl-1,3-benzoxazol-5-amine
CID 63090196
N-[1-(2-bromophenyl)ethyl]-2-ethyl-1,3-benzoxazol-5-amine
CID 63452114
2-ethyl-N-(2-methylpentyl)-1,3-benzoxazol-5-amine
CID 54866635
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
2-[[(2-ethyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol
CID 81418601
2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
CID 54881596
N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethyl-1,3-benzoxazol-5-amine
CID 61000799
2-ethyl-N-hexyl-1,3-benzoxazol-5-amine
CID 63451586
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 60944281
3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide
CID 62837775
4-[[(2-ethyl-1,3-benzoxazol-5-yl)amino]methyl]benzene-1,3-diol
CID 60931175

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-2-methylbutan-2-ol?
The IUPAC name of 3-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-2-methylbutan-2-ol (CID 65337571) is 3-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-2-methylbutan-2-ol is CCc1nc2cc(NC(C)C(C)(C)O)ccc2o1.
What is the InChIKey of 3-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-2-methylbutan-2-ol?
The InChIKey is ZISIOKRXYSELOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-13-16-11-8-10(6-7-12(11)18-13)15-9(2)14(3,4)17/h6-9,15,17H,5H2,1-4H3.
What are the key properties of 3-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-2-methylbutan-2-ol?
3-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-2-methylbutan-2-ol has a molecular weight of 248.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 65337571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).