[amino-[6-[[2-[3-(1,2-oxazol-4-yl)phenyl]acetyl]amino]naphthalen-2-yl]methylidene]azanium

C22H19N4O2+ — CID 150622976

IUPAC[amino-[6-[[2-[3-(1,2-oxazol-4-yl)phenyl]acetyl]amino]naphthalen-2-yl]methylidene]azanium
SMILESNC(=[NH2+])c1ccc2cc(NC(=O)Cc3cccc(-c4cnoc4)c3)ccc2c1
InChIInChI=1S/C22H18N4O2/c23-22(24)18-5-4-17-11-20(7-6-16(17)10-18)26-21(27)9-14-2-1-3-15(8-14)19-12-25-28-13-19/h1-8,10-13H,9H2,(H3,23,24)(H,26,27)/p+1
InChIKeyIWHNJTGLUQYRMS-UHFFFAOYSA-O
MW371.42 g/mol
LogP2.14
Rot. Bonds5

About [amino-[6-[[2-[3-(1,2-oxazol-4-yl)phenyl]acetyl]amino]naphthalen-2-yl]methylidene]azanium

[amino-[6-[[2-[3-(1,2-oxazol-4-yl)phenyl]acetyl]amino]naphthalen-2-yl]methylidene]azanium (PubChem CID 150622976) has the molecular formula C22H19N4O2+ and a molecular weight of 371.42 g/mol. Its IUPAC name is [amino-[6-[[2-[3-(1,2-oxazol-4-yl)phenyl]acetyl]amino]naphthalen-2-yl]methylidene]azanium.

Molecular Properties

Compound Name[amino-[6-[[2-[3-(1,2-oxazol-4-yl)phenyl]acetyl]amino]naphthalen-2-yl]methylidene]azanium
PubChem CID150622976
Molecular FormulaC22H19N4O2+
Molecular Weight371.42 g/mol
Exact Mass371.15
IUPAC Name[amino-[6-[[2-[3-(1,2-oxazol-4-yl)phenyl]acetyl]amino]naphthalen-2-yl]methylidene]azanium
SMILESNC(=[NH2+])c1ccc2cc(NC(=O)Cc3cccc(-c4cnoc4)c3)ccc2c1
InChIInChI=1S/C22H18N4O2/c23-22(24)18-5-4-17-11-20(7-6-16(17)10-18)26-21(27)9-14-2-1-3-15(8-14)19-12-25-28-13-19/h1-8,10-13H,9H2,(H3,23,24)(H,26,27)/p+1
InChIKeyIWHNJTGLUQYRMS-UHFFFAOYSA-O
XLogP2.14
TPSA106.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 [amino-[6-[[2-[3-(1,2-oxazol-4-yl)phenyl]acetyl]amino]naphthalen-2-yl]methylidene]azanium?
The IUPAC name of [amino-[6-[[2-[3-(1,2-oxazol-4-yl)phenyl]acetyl]amino]naphthalen-2-yl]methylidene]azanium (CID 150622976) is [amino-[6-[[2-[3-(1,2-oxazol-4-yl)phenyl]acetyl]amino]naphthalen-2-yl]methylidene]azanium.
What is the SMILES notation for [amino-[6-[[2-[3-(1,2-oxazol-4-yl)phenyl]acetyl]amino]naphthalen-2-yl]methylidene]azanium?
The canonical SMILES for [amino-[6-[[2-[3-(1,2-oxazol-4-yl)phenyl]acetyl]amino]naphthalen-2-yl]methylidene]azanium is NC(=[NH2+])c1ccc2cc(NC(=O)Cc3cccc(-c4cnoc4)c3)ccc2c1.
What is the InChIKey of [amino-[6-[[2-[3-(1,2-oxazol-4-yl)phenyl]acetyl]amino]naphthalen-2-yl]methylidene]azanium?
The InChIKey is IWHNJTGLUQYRMS-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H18N4O2/c23-22(24)18-5-4-17-11-20(7-6-16(17)10-18)26-21(27)9-14-2-1-3-15(8-14)19-12-25-28-13-19/h1-8,10-13H,9H2,(H3,23,24)(H,26,27)/p+1.
What are the key properties of [amino-[6-[[2-[3-(1,2-oxazol-4-yl)phenyl]acetyl]amino]naphthalen-2-yl]methylidene]azanium?
[amino-[6-[[2-[3-(1,2-oxazol-4-yl)phenyl]acetyl]amino]naphthalen-2-yl]methylidene]azanium has a molecular weight of 371.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[6-[[2-[3-(1,2-oxazol-4-yl)phenyl]acetyl]amino]naphthalen-2-yl]methylidene]azanium is sourced from PubChem (CID 150622976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).