1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine

C19H28N4O2 — CID 109408603

IUPAC1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine
SMILESC/N=C(\NCC(C)c1c(C)noc1C)NCC(CO)c1ccccc1
InChIInChI=1S/C19H28N4O2/c1-13(18-14(2)23-25-15(18)3)10-21-19(20-4)22-11-17(12-24)16-8-6-5-7-9-16/h5-9,13,17,24H,10-12H2,1-4H3,(H2,20,21,22)
InChIKeyFSSGQIVSBVNENM-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.34
Rot. Bonds7

About 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine

1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine (PubChem CID 109408603) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine
PubChem CID109408603
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine
SMILESC/N=C(\NCC(C)c1c(C)noc1C)NCC(CO)c1ccccc1
InChIInChI=1S/C19H28N4O2/c1-13(18-14(2)23-25-15(18)3)10-21-19(20-4)22-11-17(12-24)16-8-6-5-7-9-16/h5-9,13,17,24H,10-12H2,1-4H3,(H2,20,21,22)
InChIKeyFSSGQIVSBVNENM-UHFFFAOYSA-N
XLogP2.34
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.34
H-Bond Donors ≤ 53
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

1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2,3-diphenylpropyl)-2-methylguanidine
CID 109389801
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[2-(3-methylbutoxy)ethyl]guanidine
CID 109410841
1-[(5-bromothiophen-2-yl)methyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine
CID 109409676
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 109408317
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 109409252
1-(3-fluoropropyl)-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine;hydroiodide
CID 109407562
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide
CID 109407564
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine
CID 109408697
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[4-(1,2,4-triazol-4-yl)butyl]guanidine
CID 109410461
1-(2-ethylsulfonylethyl)-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine
CID 109407705
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-(2-phenylpropyl)guanidine
CID 111342821
1-[3-[di(propan-2-yl)amino]propyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine;hydroiodide
CID 109409597

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine?
The IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine (CID 109408603) is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine?
The canonical SMILES for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine is C/N=C(\NCC(C)c1c(C)noc1C)NCC(CO)c1ccccc1.
What is the InChIKey of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine?
The InChIKey is FSSGQIVSBVNENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13(18-14(2)23-25-15(18)3)10-21-19(20-4)22-11-17(12-24)16-8-6-5-7-9-16/h5-9,13,17,24H,10-12H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine?
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine has a molecular weight of 344.46 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine is sourced from PubChem (CID 109408603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).