(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-yl)methyl-[4-(1,3-oxazol-5-yl)phenyl]diazene

C19H19N5O — CID 90960110

IUPAC(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-yl)methyl-[4-(1,3-oxazol-5-yl)phenyl]diazene
SMILESCN1CCc2cc(C/N=N/c3ccc(-c4cnco4)cc3)ncc2C1
InChIInChI=1S/C19H19N5O/c1-24-7-6-15-8-18(21-9-16(15)12-24)10-22-23-17-4-2-14(3-5-17)19-11-20-13-25-19/h2-5,8-9,11,13H,6-7,10,12H2,1H3/b23-22+
InChIKeyZKSYDFKJMIYQNB-GHVJWSGMSA-N
MW333.40 g/mol
LogP4.01
Rot. Bonds4

About (7-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-yl)methyl-[4-(1,3-oxazol-5-yl)phenyl]diazene

(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-yl)methyl-[4-(1,3-oxazol-5-yl)phenyl]diazene (PubChem CID 90960110) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is (7-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-yl)methyl-[4-(1,3-oxazol-5-yl)phenyl]diazene.

Molecular Properties

Compound Name(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-yl)methyl-[4-(1,3-oxazol-5-yl)phenyl]diazene
PubChem CID90960110
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-yl)methyl-[4-(1,3-oxazol-5-yl)phenyl]diazene
SMILESCN1CCc2cc(C/N=N/c3ccc(-c4cnco4)cc3)ncc2C1
InChIInChI=1S/C19H19N5O/c1-24-7-6-15-8-18(21-9-16(15)12-24)10-22-23-17-4-2-14(3-5-17)19-11-20-13-25-19/h2-5,8-9,11,13H,6-7,10,12H2,1H3/b23-22+
InChIKeyZKSYDFKJMIYQNB-GHVJWSGMSA-N
XLogP4.01
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-yl)methyl-[4-(1,3-oxazol-5-yl)phenyl]diazene?
The IUPAC name of (7-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-yl)methyl-[4-(1,3-oxazol-5-yl)phenyl]diazene (CID 90960110) is (7-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-yl)methyl-[4-(1,3-oxazol-5-yl)phenyl]diazene.
What is the SMILES notation for (7-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-yl)methyl-[4-(1,3-oxazol-5-yl)phenyl]diazene?
The canonical SMILES for (7-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-yl)methyl-[4-(1,3-oxazol-5-yl)phenyl]diazene is CN1CCc2cc(C/N=N/c3ccc(-c4cnco4)cc3)ncc2C1.
What is the InChIKey of (7-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-yl)methyl-[4-(1,3-oxazol-5-yl)phenyl]diazene?
The InChIKey is ZKSYDFKJMIYQNB-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H19N5O/c1-24-7-6-15-8-18(21-9-16(15)12-24)10-22-23-17-4-2-14(3-5-17)19-11-20-13-25-19/h2-5,8-9,11,13H,6-7,10,12H2,1H3/b23-22+.
What are the key properties of (7-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-yl)methyl-[4-(1,3-oxazol-5-yl)phenyl]diazene?
(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-yl)methyl-[4-(1,3-oxazol-5-yl)phenyl]diazene has a molecular weight of 333.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-yl)methyl-[4-(1,3-oxazol-5-yl)phenyl]diazene is sourced from PubChem (CID 90960110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).