N-(4-aminocyclohexyl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide

C16H21N3O2 — CID 79113125

IUPACN-(4-aminocyclohexyl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
SMILESCN(C(=O)Cc1noc2ccccc12)C1CCC(N)CC1
InChIInChI=1S/C16H21N3O2/c1-19(12-8-6-11(17)7-9-12)16(20)10-14-13-4-2-3-5-15(13)21-18-14/h2-5,11-12H,6-10,17H2,1H3
InChIKeyCAJWYBHXFXECDJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.10
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide

N-(4-aminocyclohexyl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide (PubChem CID 79113125) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
PubChem CID79113125
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(4-aminocyclohexyl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
SMILESCN(C(=O)Cc1noc2ccccc12)C1CCC(N)CC1
InChIInChI=1S/C16H21N3O2/c1-19(12-8-6-11(17)7-9-12)16(20)10-14-13-4-2-3-5-15(13)21-18-14/h2-5,11-12H,6-10,17H2,1H3
InChIKeyCAJWYBHXFXECDJ-UHFFFAOYSA-N
XLogP2.10
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119444392
2-[[2-(1,2-benzoxazol-3-yl)acetyl]-cyclopropylamino]propanoic acid
CID 119203511
2-(1,2-benzoxazol-3-yl)-N-benzyl-N-cyclopropylacetamide
CID 38283022
N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
CID 119585056
N-(4-aminocyclohexyl)-N-methyl-2-phenylacetamide
CID 79121383
[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8984144
N-(azetidin-3-yl)-2-(1,2-benzoxazol-3-yl)-N-ethylacetamide
CID 66182098
2-(1,2-benzoxazol-3-yl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide
CID 126920427
N-(4-aminocyclohexyl)-2-(1-benzothiophen-3-yl)-N-methylacetamide;hydrochloride
CID 154578112
3-(1,2-benzoxazol-3-ylmethyl)-1-cyclohexyl-1-methylurea
CID 20901318
2-(1,2-benzoxazol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 113337577
3-[[2-(1,2-benzoxazol-3-yl)acetyl]-methylamino]propanoic acid
CID 60988386

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide (CID 79113125) is N-(4-aminocyclohexyl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide is CN(C(=O)Cc1noc2ccccc12)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide?
The InChIKey is CAJWYBHXFXECDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19(12-8-6-11(17)7-9-12)16(20)10-14-13-4-2-3-5-15(13)21-18-14/h2-5,11-12H,6-10,17H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide?
N-(4-aminocyclohexyl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide has a molecular weight of 287.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide is sourced from PubChem (CID 79113125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).