4-[2-amino-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]phenol

C14H18N4O3 — CID 116807586

IUPAC4-[2-amino-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]phenol
SMILESNC(Cc1ccc(O)cc1)c1nc(N2CCOCC2)no1
InChIInChI=1S/C14H18N4O3/c15-12(9-10-1-3-11(19)4-2-10)13-16-14(17-21-13)18-5-7-20-8-6-18/h1-4,12,19H,5-9,15H2
InChIKeyXDTIQBQSHOCERQ-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.85
Rot. Bonds4

About 4-[2-amino-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]phenol

4-[2-amino-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]phenol (PubChem CID 116807586) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[2-amino-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-amino-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]phenol
PubChem CID116807586
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name4-[2-amino-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]phenol
SMILESNC(Cc1ccc(O)cc1)c1nc(N2CCOCC2)no1
InChIInChI=1S/C14H18N4O3/c15-12(9-10-1-3-11(19)4-2-10)13-16-14(17-21-13)18-5-7-20-8-6-18/h1-4,12,19H,5-9,15H2
InChIKeyXDTIQBQSHOCERQ-UHFFFAOYSA-N
XLogP0.85
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104915585
(1R)-2-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104902244
(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 107145151
4-[(2R)-2-amino-2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905807
4-[(2S)-2-amino-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905799
4-[(2R)-2-amino-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905819
3-methylsulfonyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 116807488
1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 116808953
4-[(2S)-2-amino-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905731
4-[(2S)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905697
4-[(2R)-2-amino-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905754
3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 116808961

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]phenol?
The IUPAC name of 4-[2-amino-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]phenol (CID 116807586) is 4-[2-amino-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]phenol.
What is the SMILES notation for 4-[2-amino-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]phenol?
The canonical SMILES for 4-[2-amino-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]phenol is NC(Cc1ccc(O)cc1)c1nc(N2CCOCC2)no1.
What is the InChIKey of 4-[2-amino-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]phenol?
The InChIKey is XDTIQBQSHOCERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c15-12(9-10-1-3-11(19)4-2-10)13-16-14(17-21-13)18-5-7-20-8-6-18/h1-4,12,19H,5-9,15H2.
What are the key properties of 4-[2-amino-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]phenol?
4-[2-amino-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]phenol has a molecular weight of 290.32 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]phenol is sourced from PubChem (CID 116807586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).