7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine

C12H9BrN4O — CID 106419106

IUPAC7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine
SMILESBrc1cnc2c(NCc3ccno3)ccnc2c1
InChIInChI=1S/C12H9BrN4O/c13-8-5-11-12(16-6-8)10(2-3-14-11)15-7-9-1-4-17-18-9/h1-6H,7H2,(H,14,15)
InChIKeyYSXCDHFCIYAJRG-UHFFFAOYSA-N
MW305.13 g/mol
LogP2.99
Rot. Bonds3

About 7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine

7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine (PubChem CID 106419106) has the molecular formula C12H9BrN4O and a molecular weight of 305.13 g/mol. Its IUPAC name is 7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine
PubChem CID106419106
Molecular FormulaC12H9BrN4O
Molecular Weight305.13 g/mol
Exact Mass304.00
IUPAC Name7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine
SMILESBrc1cnc2c(NCc3ccno3)ccnc2c1
InChIInChI=1S/C12H9BrN4O/c13-8-5-11-12(16-6-8)10(2-3-14-11)15-7-9-1-4-17-18-9/h1-6H,7H2,(H,14,15)
InChIKeyYSXCDHFCIYAJRG-UHFFFAOYSA-N
XLogP2.99
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1,5-naphthyridin-4-amine
CID 106403276
7-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,5-naphthyridin-4-amine
CID 133483569
1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol
CID 104891759
7-bromo-N-[(4-ethylsulfonylphenyl)methyl]-1,5-naphthyridin-4-amine
CID 133465726
7-bromo-N-[(2-methylcyclopropyl)methyl]-1,5-naphthyridin-4-amine
CID 113463910
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol
CID 113394421
7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine
CID 133481963
1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine
CID 106286919
N-[4-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
CID 133481732
2-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]-N-tert-butylbenzenesulfonamide
CID 133482451
N-(7-bromo-1,5-naphthyridin-4-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 133482029
7-bromo-N-(pyrrolidin-2-ylmethyl)-1,5-naphthyridin-4-amine
CID 113394440

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine (CID 106419106) is 7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine is Brc1cnc2c(NCc3ccno3)ccnc2c1.
What is the InChIKey of 7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine?
The InChIKey is YSXCDHFCIYAJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O/c13-8-5-11-12(16-6-8)10(2-3-14-11)15-7-9-1-4-17-18-9/h1-6H,7H2,(H,14,15).
What are the key properties of 7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine?
7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine has a molecular weight of 305.13 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine is sourced from PubChem (CID 106419106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).