1-(1,3-benzoxazol-6-yl)-2-morpholin-3-ylethanamine

C13H17N3O2 — CID 116941514

IUPAC1-(1,3-benzoxazol-6-yl)-2-morpholin-3-ylethanamine
SMILESNC(CC1COCCN1)c1ccc2ncoc2c1
InChIInChI=1S/C13H17N3O2/c14-11(6-10-7-17-4-3-15-10)9-1-2-12-13(5-9)18-8-16-12/h1-2,5,8,10-11,15H,3-4,6-7,14H2
InChIKeyNPNUBRGCVJPREX-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.21
Rot. Bonds3

About 1-(1,3-benzoxazol-6-yl)-2-morpholin-3-ylethanamine

1-(1,3-benzoxazol-6-yl)-2-morpholin-3-ylethanamine (PubChem CID 116941514) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-6-yl)-2-morpholin-3-ylethanamine.

Molecular Properties

Compound Name1-(1,3-benzoxazol-6-yl)-2-morpholin-3-ylethanamine
PubChem CID116941514
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(1,3-benzoxazol-6-yl)-2-morpholin-3-ylethanamine
SMILESNC(CC1COCCN1)c1ccc2ncoc2c1
InChIInChI=1S/C13H17N3O2/c14-11(6-10-7-17-4-3-15-10)9-1-2-12-13(5-9)18-8-16-12/h1-2,5,8,10-11,15H,3-4,6-7,14H2
InChIKeyNPNUBRGCVJPREX-UHFFFAOYSA-N
XLogP1.21
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-3-yl-1-naphthalen-2-ylethanamine
CID 116941547
2-morpholin-3-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 116941456
2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 116941460
1-(3-methylphenyl)-2-morpholin-3-ylethanamine
CID 116941527
1-(4-ethoxy-3-methylphenyl)-2-morpholin-3-ylethanamine
CID 116941494
1-(4-ethylphenyl)-2-morpholin-3-ylethanamine
CID 116941455
1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine
CID 116935433
2-amino-2-(1,3-benzoxazol-6-yl)ethanol
CID 82599704
1-[4-(2-methylpropyl)phenyl]-2-morpholin-3-ylethanamine
CID 116941475
2-morpholin-3-yl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 116941496
1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine
CID 116935891
3-[amino(1,3-benzoxazol-6-yl)methyl]cyclobutan-1-amine
CID 116937387

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-6-yl)-2-morpholin-3-ylethanamine?
The IUPAC name of 1-(1,3-benzoxazol-6-yl)-2-morpholin-3-ylethanamine (CID 116941514) is 1-(1,3-benzoxazol-6-yl)-2-morpholin-3-ylethanamine.
What is the SMILES notation for 1-(1,3-benzoxazol-6-yl)-2-morpholin-3-ylethanamine?
The canonical SMILES for 1-(1,3-benzoxazol-6-yl)-2-morpholin-3-ylethanamine is NC(CC1COCCN1)c1ccc2ncoc2c1.
What is the InChIKey of 1-(1,3-benzoxazol-6-yl)-2-morpholin-3-ylethanamine?
The InChIKey is NPNUBRGCVJPREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-11(6-10-7-17-4-3-15-10)9-1-2-12-13(5-9)18-8-16-12/h1-2,5,8,10-11,15H,3-4,6-7,14H2.
What are the key properties of 1-(1,3-benzoxazol-6-yl)-2-morpholin-3-ylethanamine?
1-(1,3-benzoxazol-6-yl)-2-morpholin-3-ylethanamine has a molecular weight of 247.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-6-yl)-2-morpholin-3-ylethanamine is sourced from PubChem (CID 116941514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).