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

C15H22N2O2 — CID 81418601

IUPAC2-[[(2-ethyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol
SMILESCCc1nc2cc(NCC(C)(CC)CO)ccc2o1
InChIInChI=1S/C15H22N2O2/c1-4-14-17-12-8-11(6-7-13(12)19-14)16-9-15(3,5-2)10-18/h6-8,16,18H,4-5,9-10H2,1-3H3
InChIKeyJNASQOWNHRYTKG-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.21
Rot. Bonds6

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

2-[[(2-ethyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol (PubChem CID 81418601) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[[(2-ethyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[(2-ethyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol
PubChem CID81418601
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[[(2-ethyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol
SMILESCCc1nc2cc(NCC(C)(CC)CO)ccc2o1
InChIInChI=1S/C15H22N2O2/c1-4-14-17-12-8-11(6-7-13(12)19-14)16-9-15(3,5-2)10-18/h6-8,16,18H,4-5,9-10H2,1-3H3
InChIKeyJNASQOWNHRYTKG-UHFFFAOYSA-N
XLogP3.21
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol
CID 81412586
2-ethyl-N-methyl-1,3-benzoxazol-5-amine
CID 63090196
3-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-2-methylbutan-2-ol
CID 65337571
2-ethyl-N-hexyl-1,3-benzoxazol-5-amine
CID 63451586
2-ethyl-N-(2-methylpentyl)-1,3-benzoxazol-5-amine
CID 54866635
4-[[(2-ethyl-1,3-benzoxazol-5-yl)amino]methyl]benzene-1,3-diol
CID 60931175
2-ethyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-benzoxazol-5-amine
CID 66400033
2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine
CID 54866667
2-ethyl-N-[(2-fluorophenyl)methyl]-1,3-benzoxazol-5-amine
CID 60930795
2-ethyl-N-(1H-imidazol-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 54976526
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119725949
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 60944281

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-ethyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[(2-ethyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol (CID 81418601) is 2-[[(2-ethyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[(2-ethyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[(2-ethyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol is CCc1nc2cc(NCC(C)(CC)CO)ccc2o1.
What is the InChIKey of 2-[[(2-ethyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol?
The InChIKey is JNASQOWNHRYTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-14-17-12-8-11(6-7-13(12)19-14)16-9-15(3,5-2)10-18/h6-8,16,18H,4-5,9-10H2,1-3H3.
What are the key properties of 2-[[(2-ethyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol?
2-[[(2-ethyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol has a molecular weight of 262.35 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-ethyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81418601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).