N'-propan-2-yl-4-[3-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,2-oxazol-5-yl]benzenecarboximidamide

C23H27N5O — CID 11990767

IUPACN'-propan-2-yl-4-[3-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,2-oxazol-5-yl]benzenecarboximidamide
SMILESCC(C)/N=C(\N)c1ccc(-c2cc(-c3ccc(/C(N)=N/C(C)C)cc3)on2)cc1
InChIInChI=1S/C23H27N5O/c1-14(2)26-22(24)18-9-5-16(6-10-18)20-13-21(29-28-20)17-7-11-19(12-8-17)23(25)27-15(3)4/h5-15H,1-4H3,(H2,24,26)(H2,25,27)
InChIKeyLILQPPBMXYLDFL-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.24
Rot. Bonds6

About N'-propan-2-yl-4-[3-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,2-oxazol-5-yl]benzenecarboximidamide

N'-propan-2-yl-4-[3-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,2-oxazol-5-yl]benzenecarboximidamide (PubChem CID 11990767) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N'-propan-2-yl-4-[3-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,2-oxazol-5-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-propan-2-yl-4-[3-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,2-oxazol-5-yl]benzenecarboximidamide
PubChem CID11990767
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN'-propan-2-yl-4-[3-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,2-oxazol-5-yl]benzenecarboximidamide
SMILESCC(C)/N=C(\N)c1ccc(-c2cc(-c3ccc(/C(N)=N/C(C)C)cc3)on2)cc1
InChIInChI=1S/C23H27N5O/c1-14(2)26-22(24)18-9-5-16(6-10-18)20-13-21(29-28-20)17-7-11-19(12-8-17)23(25)27-15(3)4/h5-15H,1-4H3,(H2,24,26)(H2,25,27)
InChIKeyLILQPPBMXYLDFL-UHFFFAOYSA-N
XLogP4.24
TPSA102.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.24
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-4-[3-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,2-oxazol-5-yl]benzenecarboximidamide?
The IUPAC name of N'-propan-2-yl-4-[3-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,2-oxazol-5-yl]benzenecarboximidamide (CID 11990767) is N'-propan-2-yl-4-[3-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,2-oxazol-5-yl]benzenecarboximidamide.
What is the SMILES notation for N'-propan-2-yl-4-[3-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,2-oxazol-5-yl]benzenecarboximidamide?
The canonical SMILES for N'-propan-2-yl-4-[3-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,2-oxazol-5-yl]benzenecarboximidamide is CC(C)/N=C(\N)c1ccc(-c2cc(-c3ccc(/C(N)=N/C(C)C)cc3)on2)cc1.
What is the InChIKey of N'-propan-2-yl-4-[3-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,2-oxazol-5-yl]benzenecarboximidamide?
The InChIKey is LILQPPBMXYLDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-14(2)26-22(24)18-9-5-16(6-10-18)20-13-21(29-28-20)17-7-11-19(12-8-17)23(25)27-15(3)4/h5-15H,1-4H3,(H2,24,26)(H2,25,27).
What are the key properties of N'-propan-2-yl-4-[3-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,2-oxazol-5-yl]benzenecarboximidamide?
N'-propan-2-yl-4-[3-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,2-oxazol-5-yl]benzenecarboximidamide has a molecular weight of 389.50 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-4-[3-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,2-oxazol-5-yl]benzenecarboximidamide is sourced from PubChem (CID 11990767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).