2-(methylamino)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)acetamide;hydrochloride

C14H19ClN4O3 — CID 120705137

IUPAC2-(methylamino)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccc2nc(N3CCOCC3)oc2c1.Cl
InChIInChI=1S/C14H18N4O3.ClH/c1-15-9-13(19)16-10-2-3-11-12(8-10)21-14(17-11)18-4-6-20-7-5-18;/h2-3,8,15H,4-7,9H2,1H3,(H,16,19);1H
InChIKeyKQKHFZKXWKKZEH-UHFFFAOYSA-N
MW326.78 g/mol
LogP1.24
Rot. Bonds4

About 2-(methylamino)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)acetamide;hydrochloride

2-(methylamino)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)acetamide;hydrochloride (PubChem CID 120705137) has the molecular formula C14H19ClN4O3 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-(methylamino)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)acetamide;hydrochloride
PubChem CID120705137
Molecular FormulaC14H19ClN4O3
Molecular Weight326.78 g/mol
Exact Mass326.11
IUPAC Name2-(methylamino)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccc2nc(N3CCOCC3)oc2c1.Cl
InChIInChI=1S/C14H18N4O3.ClH/c1-15-9-13(19)16-10-2-3-11-12(8-10)21-14(17-11)18-4-6-20-7-5-18;/h2-3,8,15H,4-7,9H2,1H3,(H,16,19);1H
InChIKeyKQKHFZKXWKKZEH-UHFFFAOYSA-N
XLogP1.24
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)furan-2-carboxamide
CID 71914587
3-[(2-morpholin-4-yl-1,3-benzoxazol-6-yl)carbamoylamino]propanoic acid
CID 122088077
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide
CID 83627413
2-morpholin-4-yl-1,3-benzoxazol-6-ol
CID 146454135
N'-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]oxamide
CID 167820457
2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide
CID 5067109
N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704662
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)acetamide;dihydrochloride
CID 20847919
2,2-dimethyl-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]propanamide
CID 36803011
2-(methylamino)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide;hydrochloride
CID 120703565
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide
CID 43027638

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)acetamide;hydrochloride (CID 120705137) is 2-(methylamino)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)acetamide;hydrochloride is CNCC(=O)Nc1ccc2nc(N3CCOCC3)oc2c1.Cl.
What is the InChIKey of 2-(methylamino)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)acetamide;hydrochloride?
The InChIKey is KQKHFZKXWKKZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3.ClH/c1-15-9-13(19)16-10-2-3-11-12(8-10)21-14(17-11)18-4-6-20-7-5-18;/h2-3,8,15H,4-7,9H2,1H3,(H,16,19);1H.
What are the key properties of 2-(methylamino)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)acetamide;hydrochloride?
2-(methylamino)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)acetamide;hydrochloride has a molecular weight of 326.78 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)acetamide;hydrochloride is sourced from PubChem (CID 120705137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).