[4-(1,2-benzoxazol-3-yl)morpholin-3-yl]methanamine

C12H15N3O2 — CID 114265591

IUPAC[4-(1,2-benzoxazol-3-yl)morpholin-3-yl]methanamine
SMILESNCC1COCCN1c1noc2ccccc12
InChIInChI=1S/C12H15N3O2/c13-7-9-8-16-6-5-15(9)12-10-3-1-2-4-11(10)17-14-12/h1-4,9H,5-8,13H2
InChIKeyKKJYHBOHBKVNSE-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.99
Rot. Bonds2

About [4-(1,2-benzoxazol-3-yl)morpholin-3-yl]methanamine

[4-(1,2-benzoxazol-3-yl)morpholin-3-yl]methanamine (PubChem CID 114265591) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is [4-(1,2-benzoxazol-3-yl)morpholin-3-yl]methanamine.

Molecular Properties

Compound Name[4-(1,2-benzoxazol-3-yl)morpholin-3-yl]methanamine
PubChem CID114265591
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name[4-(1,2-benzoxazol-3-yl)morpholin-3-yl]methanamine
SMILESNCC1COCCN1c1noc2ccccc12
InChIInChI=1S/C12H15N3O2/c13-7-9-8-16-6-5-15(9)12-10-3-1-2-4-11(10)17-14-12/h1-4,9H,5-8,13H2
InChIKeyKKJYHBOHBKVNSE-UHFFFAOYSA-N
XLogP0.99
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1,2-benzoxazol-3-yl)morpholin-3-yl]methanamine?
The IUPAC name of [4-(1,2-benzoxazol-3-yl)morpholin-3-yl]methanamine (CID 114265591) is [4-(1,2-benzoxazol-3-yl)morpholin-3-yl]methanamine.
What is the SMILES notation for [4-(1,2-benzoxazol-3-yl)morpholin-3-yl]methanamine?
The canonical SMILES for [4-(1,2-benzoxazol-3-yl)morpholin-3-yl]methanamine is NCC1COCCN1c1noc2ccccc12.
What is the InChIKey of [4-(1,2-benzoxazol-3-yl)morpholin-3-yl]methanamine?
The InChIKey is KKJYHBOHBKVNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-7-9-8-16-6-5-15(9)12-10-3-1-2-4-11(10)17-14-12/h1-4,9H,5-8,13H2.
What are the key properties of [4-(1,2-benzoxazol-3-yl)morpholin-3-yl]methanamine?
[4-(1,2-benzoxazol-3-yl)morpholin-3-yl]methanamine has a molecular weight of 233.27 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-benzoxazol-3-yl)morpholin-3-yl]methanamine is sourced from PubChem (CID 114265591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).