6-[amino(morpholin-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one

C13H17N3O3 — CID 116941185

IUPAC6-[amino(morpholin-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C(N)C3COCCN3)ccc21
InChIInChI=1S/C13H17N3O3/c1-16-10-3-2-8(6-11(10)19-13(16)17)12(14)9-7-18-5-4-15-9/h2-3,6,9,12,15H,4-5,7,14H2,1H3
InChIKeyWEIYQOKJTAGYTM-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.12
Rot. Bonds2

About 6-[amino(morpholin-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one

6-[amino(morpholin-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 116941185) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-[amino(morpholin-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[amino(morpholin-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID116941185
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name6-[amino(morpholin-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C(N)C3COCCN3)ccc21
InChIInChI=1S/C13H17N3O3/c1-16-10-3-2-8(6-11(10)19-13(16)17)12(14)9-7-18-5-4-15-9/h2-3,6,9,12,15H,4-5,7,14H2,1H3
InChIKeyWEIYQOKJTAGYTM-UHFFFAOYSA-N
XLogP0.12
TPSA82.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[amino(morpholin-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[amino(morpholin-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one (CID 116941185) is 6-[amino(morpholin-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[amino(morpholin-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[amino(morpholin-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(C(N)C3COCCN3)ccc21.
What is the InChIKey of 6-[amino(morpholin-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is WEIYQOKJTAGYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-16-10-3-2-8(6-11(10)19-13(16)17)12(14)9-7-18-5-4-15-9/h2-3,6,9,12,15H,4-5,7,14H2,1H3.
What are the key properties of 6-[amino(morpholin-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one?
6-[amino(morpholin-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 263.30 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino(morpholin-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 116941185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).