2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-propan-2-ylguanidine

C16H29N5O — CID 111808286

IUPAC2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-propan-2-ylguanidine
SMILESCc1nc(CN2CCC(C/N=C(\N)NC(C)C)CC2)oc1C
InChIInChI=1S/C16H29N5O/c1-11(2)19-16(17)18-9-14-5-7-21(8-6-14)10-15-20-12(3)13(4)22-15/h11,14H,5-10H2,1-4H3,(H3,17,18,19)
InChIKeyQXLLTKSCZPBTEM-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.82
Rot. Bonds5

About 2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-propan-2-ylguanidine

2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-propan-2-ylguanidine (PubChem CID 111808286) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-propan-2-ylguanidine
PubChem CID111808286
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-propan-2-ylguanidine
SMILESCc1nc(CN2CCC(C/N=C(\N)NC(C)C)CC2)oc1C
InChIInChI=1S/C16H29N5O/c1-11(2)19-16(17)18-9-14-5-7-21(8-6-14)10-15-20-12(3)13(4)22-15/h11,14H,5-10H2,1-4H3,(H3,17,18,19)
InChIKeyQXLLTKSCZPBTEM-UHFFFAOYSA-N
XLogP1.82
TPSA79.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.82
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'}

Analyze 2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-propan-2-ylguanidine with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopentyl-2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]guanidine
CID 119147292
2-(cyclobutylmethyl)-1-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]guanidine
CID 111808376
1-butyl-2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]guanidine
CID 111808382
N'-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]azepane-1-carboximidamide;hydroiodide
CID 86779293
2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111808318
1-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-(2-methylpropyl)guanidine
CID 111808308
ethyl 4-[[N'-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111808312
1-cyclopropyl-2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-3-ethylguanidine;hydroiodide
CID 111759478
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpiperidin-4-amine;dihydrochloride
CID 119923701
1-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-3-ethyl-2-(2-methylpropyl)guanidine
CID 111761985
2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111764572
2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine
CID 111764355

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-propan-2-ylguanidine?
The IUPAC name of 2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-propan-2-ylguanidine (CID 111808286) is 2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-propan-2-ylguanidine is Cc1nc(CN2CCC(C/N=C(\N)NC(C)C)CC2)oc1C.
What is the InChIKey of 2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-propan-2-ylguanidine?
The InChIKey is QXLLTKSCZPBTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-11(2)19-16(17)18-9-14-5-7-21(8-6-14)10-15-20-12(3)13(4)22-15/h11,14H,5-10H2,1-4H3,(H3,17,18,19).
What are the key properties of 2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-propan-2-ylguanidine?
2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-propan-2-ylguanidine has a molecular weight of 307.44 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-propan-2-ylguanidine is sourced from PubChem (CID 111808286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).