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

C13H11BrN4O — CID 91648844

IUPAC7-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,5-naphthyridin-4-amine
SMILESCc1ocnc1CNc1ccnc2cc(Br)cnc12
InChIInChI=1S/C13H11BrN4O/c1-8-12(18-7-19-8)6-16-10-2-3-15-11-4-9(14)5-17-13(10)11/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyKYHSGWIPSLRYHR-UHFFFAOYSA-N
MW319.16 g/mol
LogP3.30
Rot. Bonds3

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

7-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,5-naphthyridin-4-amine (PubChem CID 91648844) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 7-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,5-naphthyridin-4-amine
PubChem CID91648844
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name7-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,5-naphthyridin-4-amine
SMILESCc1ocnc1CNc1ccnc2cc(Br)cnc12
InChIInChI=1S/C13H11BrN4O/c1-8-12(18-7-19-8)6-16-10-2-3-15-11-4-9(14)5-17-13(10)11/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyKYHSGWIPSLRYHR-UHFFFAOYSA-N
XLogP3.30
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,5-naphthyridin-4-amine (CID 91648844) is 7-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,5-naphthyridin-4-amine is Cc1ocnc1CNc1ccnc2cc(Br)cnc12.
What is the InChIKey of 7-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,5-naphthyridin-4-amine?
The InChIKey is KYHSGWIPSLRYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-8-12(18-7-19-8)6-16-10-2-3-15-11-4-9(14)5-17-13(10)11/h2-5,7H,6H2,1H3,(H,15,16).
What are the key properties of 7-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,5-naphthyridin-4-amine?
7-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,5-naphthyridin-4-amine has a molecular weight of 319.16 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 91648844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).