7-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,5-naphthyridin-4-amine

C14H13BrN4O — CID 104891736

IUPAC7-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,5-naphthyridin-4-amine
SMILESCc1nc(CNc2ccnc3cc(Br)cnc23)oc1C
InChIInChI=1S/C14H13BrN4O/c1-8-9(2)20-13(19-8)7-17-11-3-4-16-12-5-10(15)6-18-14(11)12/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyXPOXCEQDZJDBJW-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.61
Rot. Bonds3

About 7-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,5-naphthyridin-4-amine

7-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,5-naphthyridin-4-amine (PubChem CID 104891736) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is 7-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,5-naphthyridin-4-amine
PubChem CID104891736
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name7-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,5-naphthyridin-4-amine
SMILESCc1nc(CNc2ccnc3cc(Br)cnc23)oc1C
InChIInChI=1S/C14H13BrN4O/c1-8-9(2)20-13(19-8)7-17-11-3-4-16-12-5-10(15)6-18-14(11)12/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyXPOXCEQDZJDBJW-UHFFFAOYSA-N
XLogP3.61
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,5-naphthyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,5-naphthyridin-4-amine (CID 104891736) is 7-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,5-naphthyridin-4-amine is Cc1nc(CNc2ccnc3cc(Br)cnc23)oc1C.
What is the InChIKey of 7-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,5-naphthyridin-4-amine?
The InChIKey is XPOXCEQDZJDBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-8-9(2)20-13(19-8)7-17-11-3-4-16-12-5-10(15)6-18-14(11)12/h3-6H,7H2,1-2H3,(H,16,17).
What are the key properties of 7-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,5-naphthyridin-4-amine?
7-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,5-naphthyridin-4-amine has a molecular weight of 333.19 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 104891736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).