2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride

C16H24Cl2N4O3 — CID 120801059

IUPAC2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCN(C)c1nc2cc(NC(=O)C(N)C3CCOCC3)ccc2o1.Cl.Cl
InChIInChI=1S/C16H22N4O3.2ClH/c1-20(2)16-19-12-9-11(3-4-13(12)23-16)18-15(21)14(17)10-5-7-22-8-6-10;;/h3-4,9-10,14H,5-8,17H2,1-2H3,(H,18,21);2*1H
InChIKeyAAJBWPZSIQGGHN-UHFFFAOYSA-N
MW391.30 g/mol
LogP2.43
Rot. Bonds4

About 2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride

2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120801059) has the molecular formula C16H24Cl2N4O3 and a molecular weight of 391.30 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
PubChem CID120801059
Molecular FormulaC16H24Cl2N4O3
Molecular Weight391.30 g/mol
Exact Mass390.12
IUPAC Name2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCN(C)c1nc2cc(NC(=O)C(N)C3CCOCC3)ccc2o1.Cl.Cl
InChIInChI=1S/C16H22N4O3.2ClH/c1-20(2)16-19-12-9-11(3-4-13(12)23-16)18-15(21)14(17)10-5-7-22-8-6-10;;/h3-4,9-10,14H,5-8,17H2,1-2H3,(H,18,21);2*1H
InChIKeyAAJBWPZSIQGGHN-UHFFFAOYSA-N
XLogP2.43
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide
CID 119893522
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
(2R)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]piperidine-2-carboxamide;dihydrochloride
CID 119893468
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 120785655
2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787891
2-amino-N-(3,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120782962
2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785281
2-amino-2-(oxan-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 120784140
2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800459
2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide
CID 120800496
2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120783594
2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120799357

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120801059) is 2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride is CN(C)c1nc2cc(NC(=O)C(N)C3CCOCC3)ccc2o1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The InChIKey is AAJBWPZSIQGGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3.2ClH/c1-20(2)16-19-12-9-11(3-4-13(12)23-16)18-15(21)14(17)10-5-7-22-8-6-10;;/h3-4,9-10,14H,5-8,17H2,1-2H3,(H,18,21);2*1H.
What are the key properties of 2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride?
2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 391.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120801059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).