1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine

C15H23N5O2 — CID 119140615

IUPAC1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
SMILESC/N=C(\NCc1cc(C)no1)NCc1ncc(C(C)(C)C)o1
InChIInChI=1S/C15H23N5O2/c1-10-6-11(22-20-10)7-18-14(16-5)19-9-13-17-8-12(21-13)15(2,3)4/h6,8H,7,9H2,1-5H3,(H2,16,18,19)
InChIKeyPVDFFDCBOPFDMW-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.13
Rot. Bonds4

About 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine (PubChem CID 119140615) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
PubChem CID119140615
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
SMILESC/N=C(\NCc1cc(C)no1)NCc1ncc(C(C)(C)C)o1
InChIInChI=1S/C15H23N5O2/c1-10-6-11(22-20-10)7-18-14(16-5)19-9-13-17-8-12(21-13)15(2,3)4/h6,8H,7,9H2,1-5H3,(H2,16,18,19)
InChIKeyPVDFFDCBOPFDMW-UHFFFAOYSA-N
XLogP2.13
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
CID 130969421
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111593323
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111593373
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111592897
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(4-cyanophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111594936
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 119140590
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclobutyl-2-methylguanidine
CID 119153688
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(2,2-diphenylethyl)-2-methylguanidine
CID 111594732
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine
CID 111593123
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[2-(2,6-difluorophenyl)ethyl]-2-methylguanidine
CID 111594426
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]-2-methylguanidine
CID 111595510
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine
CID 111594815

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine?
The IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine (CID 119140615) is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine.
What is the SMILES notation for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine?
The canonical SMILES for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine is C/N=C(\NCc1cc(C)no1)NCc1ncc(C(C)(C)C)o1.
What is the InChIKey of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine?
The InChIKey is PVDFFDCBOPFDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-10-6-11(22-20-10)7-18-14(16-5)19-9-13-17-8-12(21-13)15(2,3)4/h6,8H,7,9H2,1-5H3,(H2,16,18,19).
What are the key properties of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine?
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine has a molecular weight of 305.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine is sourced from PubChem (CID 119140615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).