5-[4-[amino-[(Z)-2-aminoethenyl]amino]phenyl]-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-oxazol-2-amine

C21H25N5O2 — CID 145132851

IUPAC5-[4-[amino-[(Z)-2-aminoethenyl]amino]phenyl]-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-oxazol-2-amine
SMILESCCOCc1ccc(C)c(Nc2ncc(-c3ccc(N(N)/C=C\N)cc3)o2)c1
InChIInChI=1S/C21H25N5O2/c1-3-27-14-16-5-4-15(2)19(12-16)25-21-24-13-20(28-21)17-6-8-18(9-7-17)26(23)11-10-22/h4-13H,3,14,22-23H2,1-2H3,(H,24,25)/b11-10-
InChIKeyNSNUGBIADNBTIK-KHPPLWFESA-N
MW379.46 g/mol
LogP4.04
Rot. Bonds8

About 5-[4-[amino-[(Z)-2-aminoethenyl]amino]phenyl]-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-oxazol-2-amine

5-[4-[amino-[(Z)-2-aminoethenyl]amino]phenyl]-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-oxazol-2-amine (PubChem CID 145132851) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-[4-[amino-[(Z)-2-aminoethenyl]amino]phenyl]-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[4-[amino-[(Z)-2-aminoethenyl]amino]phenyl]-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-oxazol-2-amine
PubChem CID145132851
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name5-[4-[amino-[(Z)-2-aminoethenyl]amino]phenyl]-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-oxazol-2-amine
SMILESCCOCc1ccc(C)c(Nc2ncc(-c3ccc(N(N)/C=C\N)cc3)o2)c1
InChIInChI=1S/C21H25N5O2/c1-3-27-14-16-5-4-15(2)19(12-16)25-21-24-13-20(28-21)17-6-8-18(9-7-17)26(23)11-10-22/h4-13H,3,14,22-23H2,1-2H3,(H,24,25)/b11-10-
InChIKeyNSNUGBIADNBTIK-KHPPLWFESA-N
XLogP4.04
TPSA102.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[amino-[(Z)-2-aminoethenyl]amino]phenyl]-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-oxazol-2-amine?
The IUPAC name of 5-[4-[amino-[(Z)-2-aminoethenyl]amino]phenyl]-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-oxazol-2-amine (CID 145132851) is 5-[4-[amino-[(Z)-2-aminoethenyl]amino]phenyl]-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[4-[amino-[(Z)-2-aminoethenyl]amino]phenyl]-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-oxazol-2-amine?
The canonical SMILES for 5-[4-[amino-[(Z)-2-aminoethenyl]amino]phenyl]-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-oxazol-2-amine is CCOCc1ccc(C)c(Nc2ncc(-c3ccc(N(N)/C=C\N)cc3)o2)c1.
What is the InChIKey of 5-[4-[amino-[(Z)-2-aminoethenyl]amino]phenyl]-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-oxazol-2-amine?
The InChIKey is NSNUGBIADNBTIK-KHPPLWFESA-N. The full InChI is InChI=1S/C21H25N5O2/c1-3-27-14-16-5-4-15(2)19(12-16)25-21-24-13-20(28-21)17-6-8-18(9-7-17)26(23)11-10-22/h4-13H,3,14,22-23H2,1-2H3,(H,24,25)/b11-10-.
What are the key properties of 5-[4-[amino-[(Z)-2-aminoethenyl]amino]phenyl]-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-oxazol-2-amine?
5-[4-[amino-[(Z)-2-aminoethenyl]amino]phenyl]-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-oxazol-2-amine has a molecular weight of 379.46 g/mol, XLogP of 4.04, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[amino-[(Z)-2-aminoethenyl]amino]phenyl]-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 145132851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).