2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole

C13H10BrN3OS — CID 104891729

IUPAC2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2ccnc3cc(Br)cnc23)oc1C
InChIInChI=1S/C13H10BrN3OS/c1-7-8(2)18-13(17-7)19-11-3-4-15-10-5-9(14)6-16-12(10)11/h3-6H,1-2H3
InChIKeyHQVZBAOUYIPXND-UHFFFAOYSA-N
MW336.21 g/mol
LogP4.15
Rot. Bonds2

About 2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole

2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 104891729) has the molecular formula C13H10BrN3OS and a molecular weight of 336.21 g/mol. Its IUPAC name is 2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole
PubChem CID104891729
Molecular FormulaC13H10BrN3OS
Molecular Weight336.21 g/mol
Exact Mass334.97
IUPAC Name2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2ccnc3cc(Br)cnc23)oc1C
InChIInChI=1S/C13H10BrN3OS/c1-7-8(2)18-13(17-7)19-11-3-4-15-10-5-9(14)6-16-12(10)11/h3-6H,1-2H3
InChIKeyHQVZBAOUYIPXND-UHFFFAOYSA-N
XLogP4.15
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-Dimethyl-2-(quinoxalin-2-ylsulfanylmethyl)-1,3-oxazole
CID 47073218
7-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,5-naphthyridin-4-amine
CID 91648844
7-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,5-naphthyridin-4-amine
CID 104891736
6-Bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine
CID 106921463
5-Bromo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
CID 106921576
5-Bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
CID 106921585
6-Bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine
CID 106921619
5-Bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
CID 106921722
5-Bromo-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
CID 106921728
5-Bromo-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
CID 106921736
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine
CID 106921742
2-[(7-Bromo-1,5-naphthyridin-4-yl)sulfanyl]-1,3-oxazole
CID 106924192

Frequently Asked Questions

What is the IUPAC name of 2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole (CID 104891729) is 2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(Sc2ccnc3cc(Br)cnc23)oc1C.
What is the InChIKey of 2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is HQVZBAOUYIPXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3OS/c1-7-8(2)18-13(17-7)19-11-3-4-15-10-5-9(14)6-16-12(10)11/h3-6H,1-2H3.
What are the key properties of 2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole?
2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 336.21 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 104891729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).