1-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)guanidine

C11H21N5O2 — CID 114181155

IUPAC1-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)guanidine
SMILESCCc1cnc(C/N=C(/NN)NCCCOC)o1
InChIInChI=1S/C11H21N5O2/c1-3-9-7-14-10(18-9)8-15-11(16-12)13-5-4-6-17-2/h7H,3-6,8,12H2,1-2H3,(H2,13,15,16)
InChIKeyVRNVYQQKYILDAI-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.18
Rot. Bonds7

About 1-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)guanidine

1-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)guanidine (PubChem CID 114181155) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name1-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)guanidine
PubChem CID114181155
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name1-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)guanidine
SMILESCCc1cnc(C/N=C(/NN)NCCCOC)o1
InChIInChI=1S/C11H21N5O2/c1-3-9-7-14-10(18-9)8-15-11(16-12)13-5-4-6-17-2/h7H,3-6,8,12H2,1-2H3,(H2,13,15,16)
InChIKeyVRNVYQQKYILDAI-UHFFFAOYSA-N
XLogP0.18
TPSA97.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-cyclopentyl-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]guanidine
CID 106379079
1-amino-2-(1H-imidazol-5-ylmethyl)-3-(3-methoxypropyl)guanidine
CID 104887169
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111593778
1-amino-3-(3-ethoxypropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 104884875
1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methoxyethyl)guanidine
CID 114181159
1-amino-3-(2-methoxyethyl)-2-[(5-methylfuran-2-yl)methyl]guanidine
CID 116511034
1-amino-2-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxypropyl)guanidine
CID 116511203
1-ethyl-3-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)methyl]guanidine
CID 110973437
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[3-(4-methylphenoxy)propyl]guanidine
CID 111595840
1-amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine
CID 102702156
1-amino-3-(3-methoxypropyl)-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 116511827
1-ethyl-3-(3-methoxypropyl)-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111584560

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)guanidine?
The IUPAC name of 1-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)guanidine (CID 114181155) is 1-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)guanidine.
What is the SMILES notation for 1-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)guanidine?
The canonical SMILES for 1-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)guanidine is CCc1cnc(C/N=C(/NN)NCCCOC)o1.
What is the InChIKey of 1-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)guanidine?
The InChIKey is VRNVYQQKYILDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-3-9-7-14-10(18-9)8-15-11(16-12)13-5-4-6-17-2/h7H,3-6,8,12H2,1-2H3,(H2,13,15,16).
What are the key properties of 1-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)guanidine?
1-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)guanidine has a molecular weight of 255.32 g/mol, XLogP of 0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)guanidine is sourced from PubChem (CID 114181155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).