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

C14H13BrN4O — CID 104891854

IUPAC7-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,5-naphthyridin-4-amine
SMILESCc1cnc(C(C)Nc2ccnc3cc(Br)cnc23)o1
InChIInChI=1S/C14H13BrN4O/c1-8-6-18-14(20-8)9(2)19-11-3-4-16-12-5-10(15)7-17-13(11)12/h3-7,9H,1-2H3,(H,16,19)
InChIKeyXWNASDXHBIFFBD-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.86
Rot. Bonds3

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

7-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,5-naphthyridin-4-amine (PubChem CID 104891854) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is 7-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,5-naphthyridin-4-amine
PubChem CID104891854
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name7-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,5-naphthyridin-4-amine
SMILESCc1cnc(C(C)Nc2ccnc3cc(Br)cnc23)o1
InChIInChI=1S/C14H13BrN4O/c1-8-6-18-14(20-8)9(2)19-11-3-4-16-12-5-10(15)7-17-13(11)12/h3-7,9H,1-2H3,(H,16,19)
InChIKeyXWNASDXHBIFFBD-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 106387609
7-bromo-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,5-naphthyridin-4-amine
CID 133483808
5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-3-amine
CID 106544957
7-bromo-N-(1-chloro-4-methylpentan-2-yl)-1,5-naphthyridin-4-amine
CID 113394587
2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 103111680
7-bromo-N-pent-1-yn-3-yl-1,5-naphthyridin-4-amine
CID 106231224
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine
CID 106544949
2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 106387648
4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 103946633
2-fluoro-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine
CID 106387593
1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine
CID 106286919
4-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 114182279

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,5-naphthyridin-4-amine (CID 104891854) is 7-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,5-naphthyridin-4-amine is Cc1cnc(C(C)Nc2ccnc3cc(Br)cnc23)o1.
What is the InChIKey of 7-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,5-naphthyridin-4-amine?
The InChIKey is XWNASDXHBIFFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-8-6-18-14(20-8)9(2)19-11-3-4-16-12-5-10(15)7-17-13(11)12/h3-7,9H,1-2H3,(H,16,19).
What are the key properties of 7-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,5-naphthyridin-4-amine?
7-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,5-naphthyridin-4-amine has a molecular weight of 333.19 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 104891854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).