2-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-1,3-oxazol-2-yl]guanidine

C19H26N4O3 — CID 10428486

IUPAC2-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-1,3-oxazol-2-yl]guanidine
SMILESCC(C)(C)c1cc(/C=C2\OC(N=C(N)N)=NC2=O)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H26N4O3/c1-18(2,3)11-7-10(8-12(14(11)24)19(4,5)6)9-13-15(25)22-17(26-13)23-16(20)21/h7-9,24H,1-6H3,(H4,20,21,22,23,25)/b13-9-
InChIKeyFDKQQLIDPCZUFH-LCYFTJDESA-N
MW358.44 g/mol
LogP2.51
Rot. Bonds1

About 2-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-1,3-oxazol-2-yl]guanidine

2-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-1,3-oxazol-2-yl]guanidine (PubChem CID 10428486) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-1,3-oxazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-1,3-oxazol-2-yl]guanidine
PubChem CID10428486
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-1,3-oxazol-2-yl]guanidine
SMILESCC(C)(C)c1cc(/C=C2\OC(N=C(N)N)=NC2=O)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H26N4O3/c1-18(2,3)11-7-10(8-12(14(11)24)19(4,5)6)9-13-15(25)22-17(26-13)23-16(20)21/h7-9,24H,1-6H3,(H4,20,21,22,23,25)/b13-9-
InChIKeyFDKQQLIDPCZUFH-LCYFTJDESA-N
XLogP2.51
TPSA123.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.51
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-1,3-oxazol-2-yl]guanidine?
The IUPAC name of 2-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-1,3-oxazol-2-yl]guanidine (CID 10428486) is 2-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-1,3-oxazol-2-yl]guanidine.
What is the SMILES notation for 2-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-1,3-oxazol-2-yl]guanidine?
The canonical SMILES for 2-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-1,3-oxazol-2-yl]guanidine is CC(C)(C)c1cc(/C=C2\OC(N=C(N)N)=NC2=O)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-1,3-oxazol-2-yl]guanidine?
The InChIKey is FDKQQLIDPCZUFH-LCYFTJDESA-N. The full InChI is InChI=1S/C19H26N4O3/c1-18(2,3)11-7-10(8-12(14(11)24)19(4,5)6)9-13-15(25)22-17(26-13)23-16(20)21/h7-9,24H,1-6H3,(H4,20,21,22,23,25)/b13-9-.
What are the key properties of 2-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-1,3-oxazol-2-yl]guanidine?
2-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-1,3-oxazol-2-yl]guanidine has a molecular weight of 358.44 g/mol, XLogP of 2.51, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-1,3-oxazol-2-yl]guanidine is sourced from PubChem (CID 10428486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).