2-[[N-cyclohexyl-N'-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide

C19H33N5O2 — CID 110045061

IUPAC2-[[N-cyclohexyl-N'-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
SMILESCCc1noc(CC)c1C/N=C(\NCC(=O)N(C)C)NC1CCCCC1
InChIInChI=1S/C19H33N5O2/c1-5-16-15(17(6-2)26-23-16)12-20-19(21-13-18(25)24(3)4)22-14-10-8-7-9-11-14/h14H,5-13H2,1-4H3,(H2,20,21,22)
InChIKeyOQYVBFXYXZCDCY-UHFFFAOYSA-N
MW363.51 g/mol
LogP2.26
Rot. Bonds7

About 2-[[N-cyclohexyl-N'-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide

2-[[N-cyclohexyl-N'-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide (PubChem CID 110045061) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-[[N-cyclohexyl-N'-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[N-cyclohexyl-N'-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
PubChem CID110045061
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name2-[[N-cyclohexyl-N'-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
SMILESCCc1noc(CC)c1C/N=C(\NCC(=O)N(C)C)NC1CCCCC1
InChIInChI=1S/C19H33N5O2/c1-5-16-15(17(6-2)26-23-16)12-20-19(21-13-18(25)24(3)4)22-14-10-8-7-9-11-14/h14H,5-13H2,1-4H3,(H2,20,21,22)
InChIKeyOQYVBFXYXZCDCY-UHFFFAOYSA-N
XLogP2.26
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[N'-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)carbamimidoyl]amino]-N,N-dimethylacetamide
CID 110045079
2-[[N-cyclopentyl-N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 110036500
2-[[N'-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]-N,N-dimethylacetamide
CID 110045067
2-[[N-cyclopentyl-N'-[(4-fluorophenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111495891
2-[[N'-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364036
2-[[N-cyclopentyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111841577
2-[[N-cyclopentyl-N'-[(3-fluorophenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111842511
2-[[N-cyclohexyl-N'-[(3-methoxyphenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 111251369
2-[[N-cyclohexyl-N'-[(3-methoxyphenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111251368
1-cyclohexyl-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]guanidine
CID 122096350
2-[[N-cyclopentyl-N'-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 111842834
2-[[N-cyclopentyl-N'-[[2-(morpholin-4-ylmethyl)phenyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111842711

Frequently Asked Questions

What is the IUPAC name of 2-[[N-cyclohexyl-N'-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[N-cyclohexyl-N'-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide (CID 110045061) is 2-[[N-cyclohexyl-N'-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[N-cyclohexyl-N'-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[N-cyclohexyl-N'-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide is CCc1noc(CC)c1C/N=C(\NCC(=O)N(C)C)NC1CCCCC1.
What is the InChIKey of 2-[[N-cyclohexyl-N'-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide?
The InChIKey is OQYVBFXYXZCDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-5-16-15(17(6-2)26-23-16)12-20-19(21-13-18(25)24(3)4)22-14-10-8-7-9-11-14/h14H,5-13H2,1-4H3,(H2,20,21,22).
What are the key properties of 2-[[N-cyclohexyl-N'-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide?
2-[[N-cyclohexyl-N'-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide has a molecular weight of 363.51 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N-cyclohexyl-N'-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110045061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).