4-(6-amino-1,3-benzoxazol-2-yl)morpholine-3-carboxamide

C12H14N4O3 — CID 83094750

IUPAC4-(6-amino-1,3-benzoxazol-2-yl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1c1nc2ccc(N)cc2o1
InChIInChI=1S/C12H14N4O3/c13-7-1-2-8-10(5-7)19-12(15-8)16-3-4-18-6-9(16)11(14)17/h1-2,5,9H,3-4,6,13H2,(H2,14,17)
InChIKeyCUVDKJGNFFMHQF-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.10
Rot. Bonds2

About 4-(6-amino-1,3-benzoxazol-2-yl)morpholine-3-carboxamide

4-(6-amino-1,3-benzoxazol-2-yl)morpholine-3-carboxamide (PubChem CID 83094750) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-(6-amino-1,3-benzoxazol-2-yl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(6-amino-1,3-benzoxazol-2-yl)morpholine-3-carboxamide
PubChem CID83094750
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name4-(6-amino-1,3-benzoxazol-2-yl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1c1nc2ccc(N)cc2o1
InChIInChI=1S/C12H14N4O3/c13-7-1-2-8-10(5-7)19-12(15-8)16-3-4-18-6-9(16)11(14)17/h1-2,5,9H,3-4,6,13H2,(H2,14,17)
InChIKeyCUVDKJGNFFMHQF-UHFFFAOYSA-N
XLogP0.10
TPSA107.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(6-amino-4-oxo-3H-quinazolin-2-yl)morpholine-3-carboxamide
CID 136809221
2-[3-(hydroxymethyl)morpholin-4-yl]-1,3-benzoxazole-6-carboxylic acid
CID 116691705
4-(4,6-dimethylpyrimidin-2-yl)morpholine-3-carboxamide
CID 75483897
4-(4-amino-2-cyanophenyl)morpholine-3-carboxamide
CID 83094570
4-(4-amino-2-sulfamoylphenyl)morpholine-3-carboxamide
CID 83094213
4-(3-amino-5-methylphenyl)morpholine-3-carboxamide
CID 112648201
methyl 5-amino-2-(3-carbamoylmorpholin-4-yl)benzoate
CID 83095654
2-(azepan-1-yl)-1,3-benzoxazol-6-amine
CID 79891137
4-[3-(aminomethyl)quinolin-2-yl]morpholine-3-carboxamide
CID 83096750
4-(3-amino-4-methylphenyl)morpholine-3-carboxamide
CID 83101423
4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide
CID 83102105
2-(3-methylthiomorpholin-4-yl)-1,3-benzoxazol-6-amine
CID 79893164

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-1,3-benzoxazol-2-yl)morpholine-3-carboxamide?
The IUPAC name of 4-(6-amino-1,3-benzoxazol-2-yl)morpholine-3-carboxamide (CID 83094750) is 4-(6-amino-1,3-benzoxazol-2-yl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(6-amino-1,3-benzoxazol-2-yl)morpholine-3-carboxamide?
The canonical SMILES for 4-(6-amino-1,3-benzoxazol-2-yl)morpholine-3-carboxamide is NC(=O)C1COCCN1c1nc2ccc(N)cc2o1.
What is the InChIKey of 4-(6-amino-1,3-benzoxazol-2-yl)morpholine-3-carboxamide?
The InChIKey is CUVDKJGNFFMHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c13-7-1-2-8-10(5-7)19-12(15-8)16-3-4-18-6-9(16)11(14)17/h1-2,5,9H,3-4,6,13H2,(H2,14,17).
What are the key properties of 4-(6-amino-1,3-benzoxazol-2-yl)morpholine-3-carboxamide?
4-(6-amino-1,3-benzoxazol-2-yl)morpholine-3-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-1,3-benzoxazol-2-yl)morpholine-3-carboxamide is sourced from PubChem (CID 83094750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).