2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]ethyl]benzene-1,4-diol

C14H18N2O3 — CID 106388008

IUPAC2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]ethyl]benzene-1,4-diol
SMILESCc1cnc(C(C)NC(C)c2cc(O)ccc2O)o1
InChIInChI=1S/C14H18N2O3/c1-8-7-15-14(19-8)10(3)16-9(2)12-6-11(17)4-5-13(12)18/h4-7,9-10,16-18H,1-3H3
InChIKeyGUGUDMYLQNTQBO-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.81
Rot. Bonds4

About 2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]ethyl]benzene-1,4-diol

2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]ethyl]benzene-1,4-diol (PubChem CID 106388008) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]ethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]ethyl]benzene-1,4-diol
PubChem CID106388008
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]ethyl]benzene-1,4-diol
SMILESCc1cnc(C(C)NC(C)c2cc(O)ccc2O)o1
InChIInChI=1S/C14H18N2O3/c1-8-7-15-14(19-8)10(3)16-9(2)12-6-11(17)4-5-13(12)18/h4-7,9-10,16-18H,1-3H3
InChIKeyGUGUDMYLQNTQBO-UHFFFAOYSA-N
XLogP2.81
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
CID 103893469
3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol
CID 113365416
2-hydroxy-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 103949071
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 103893462
2-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]benzene-1,4-diol
CID 81363535
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2-nitrophenyl)ethanamine
CID 103912148
2-[1-(4-methylpentan-2-ylamino)ethyl]benzene-1,4-diol
CID 43371912
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]benzene-1,4-diol
CID 104827658
2-[1-[[(1R)-1-(2-bromophenyl)ethyl]amino]ethyl]benzene-1,4-diol
CID 81378471
3-chloro-4-hydroxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 103950224
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 114182327
2-[1-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]benzene-1,4-diol
CID 81399035

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]ethyl]benzene-1,4-diol?
The IUPAC name of 2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]ethyl]benzene-1,4-diol (CID 106388008) is 2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]ethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]ethyl]benzene-1,4-diol?
The canonical SMILES for 2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]ethyl]benzene-1,4-diol is Cc1cnc(C(C)NC(C)c2cc(O)ccc2O)o1.
What is the InChIKey of 2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]ethyl]benzene-1,4-diol?
The InChIKey is GUGUDMYLQNTQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8-7-15-14(19-8)10(3)16-9(2)12-6-11(17)4-5-13(12)18/h4-7,9-10,16-18H,1-3H3.
What are the key properties of 2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]ethyl]benzene-1,4-diol?
2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]ethyl]benzene-1,4-diol has a molecular weight of 262.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]ethyl]benzene-1,4-diol is sourced from PubChem (CID 106388008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).