2-(2-morpholin-4-ylethylamino)-1,3-benzoxazol-6-ol

C13H17N3O3 — CID 142742784

IUPAC2-(2-morpholin-4-ylethylamino)-1,3-benzoxazol-6-ol
SMILESOc1ccc2nc(NCCN3CCOCC3)oc2c1
InChIInChI=1S/C13H17N3O3/c17-10-1-2-11-12(9-10)19-13(15-11)14-3-4-16-5-7-18-8-6-16/h1-2,9,17H,3-8H2,(H,14,15)
InChIKeyHWHVBXVPBBPTNA-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.28
Rot. Bonds4

About 2-(2-morpholin-4-ylethylamino)-1,3-benzoxazol-6-ol

2-(2-morpholin-4-ylethylamino)-1,3-benzoxazol-6-ol (PubChem CID 142742784) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylamino)-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylamino)-1,3-benzoxazol-6-ol
PubChem CID142742784
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-(2-morpholin-4-ylethylamino)-1,3-benzoxazol-6-ol
SMILESOc1ccc2nc(NCCN3CCOCC3)oc2c1
InChIInChI=1S/C13H17N3O3/c17-10-1-2-11-12(9-10)19-13(15-11)14-3-4-16-5-7-18-8-6-16/h1-2,9,17H,3-8H2,(H,14,15)
InChIKeyHWHVBXVPBBPTNA-UHFFFAOYSA-N
XLogP1.28
TPSA70.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazol-2-amine
CID 171705164
N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-amine
CID 55023477
1-(4-chlorophenyl)-3-[4-[[2-(2-morpholin-4-ylethylamino)-1,3-benzoxazol-6-yl]oxymethyl]phenyl]urea
CID 127044457
2-N-(2-thiomorpholin-4-ylethyl)-1,3-benzoxazole-2,6-diamine
CID 106324737
2-(2-piperazin-1-ylethylamino)-1,3-benzoxazole-6-carboxylic acid
CID 116690841
2-(2-thiomorpholin-4-ylethylamino)-1,3-benzoxazole-6-carboxylic acid
CID 106325846
2-morpholin-4-yl-1,3-benzoxazol-6-ol
CID 146454135
4-[2-[[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 117086809
N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-b]quinolin-11-amine
CID 11660269
2-(4-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78823248
2-[1-(2-morpholin-4-ylethylamino)ethyl]benzene-1,4-diol
CID 43195502
3-methyl-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 59058894

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethylamino)-1,3-benzoxazol-6-ol?
The IUPAC name of 2-(2-morpholin-4-ylethylamino)-1,3-benzoxazol-6-ol (CID 142742784) is 2-(2-morpholin-4-ylethylamino)-1,3-benzoxazol-6-ol.
What is the SMILES notation for 2-(2-morpholin-4-ylethylamino)-1,3-benzoxazol-6-ol?
The canonical SMILES for 2-(2-morpholin-4-ylethylamino)-1,3-benzoxazol-6-ol is Oc1ccc2nc(NCCN3CCOCC3)oc2c1.
What is the InChIKey of 2-(2-morpholin-4-ylethylamino)-1,3-benzoxazol-6-ol?
The InChIKey is HWHVBXVPBBPTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-10-1-2-11-12(9-10)19-13(15-11)14-3-4-16-5-7-18-8-6-16/h1-2,9,17H,3-8H2,(H,14,15).
What are the key properties of 2-(2-morpholin-4-ylethylamino)-1,3-benzoxazol-6-ol?
2-(2-morpholin-4-ylethylamino)-1,3-benzoxazol-6-ol has a molecular weight of 263.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylamino)-1,3-benzoxazol-6-ol is sourced from PubChem (CID 142742784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).