[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methylazanium

C12H14N5O+ — CID 58024804

IUPAC[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methylazanium
SMILESCc1noc(C)c1-c1cnc2nc(C[NH3+])[nH]c2c1
InChIInChI=1S/C12H13N5O/c1-6-11(7(2)18-17-6)8-3-9-12(14-5-8)16-10(4-13)15-9/h3,5H,4,13H2,1-2H3,(H,14,15,16)/p+1
InChIKeyQCRRJLJSTFANQZ-UHFFFAOYSA-O
MW244.28 g/mol
LogP0.97
Rot. Bonds2

About [6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methylazanium

[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methylazanium (PubChem CID 58024804) has the molecular formula C12H14N5O+ and a molecular weight of 244.28 g/mol. Its IUPAC name is [6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methylazanium.

Molecular Properties

Compound Name[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methylazanium
PubChem CID58024804
Molecular FormulaC12H14N5O+
Molecular Weight244.28 g/mol
Exact Mass244.12
IUPAC Name[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methylazanium
SMILESCc1noc(C)c1-c1cnc2nc(C[NH3+])[nH]c2c1
InChIInChI=1S/C12H13N5O/c1-6-11(7(2)18-17-6)8-3-9-12(14-5-8)16-10(4-13)15-9/h3,5H,4,13H2,1-2H3,(H,14,15,16)/p+1
InChIKeyQCRRJLJSTFANQZ-UHFFFAOYSA-O
XLogP0.97
TPSA95.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methylazanium with MolForge

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Related Compounds

4-(1H-indazol-6-yl)-3,5-dimethyl-1,2-oxazole
CID 118937091
4-(11-ethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-3,5-dimethyl-1,2-oxazole
CID 140959607
3,5-dimethyl-4-([1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2-oxazole
CID 130383084
4-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 145173276
4-(6-methoxy-5-methyl-3-pyridinyl)-3,5-dimethyl-1,2-oxazole
CID 147829437
6-(3,5-dimethyl-1,2-oxazol-4-yl)isoquinolin-3-amine
CID 118980517
4-[1-(cyclobutylmethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 121375947
6-(2,6-dimethoxyphenyl)-2-ethyl-1H-imidazo[4,5-b]pyridine
CID 72902515
4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]phenol
CID 87056287
4-(6-methoxy-3-pyridinyl)-3,5-dimethyl-1,2-oxazole
CID 58016433
3,5-dimethyl-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-1,2-oxazole;4-(3-iodo-1H-pyrrolo[3,2-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole
CID 159164518
4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine
CID 121293110

Frequently Asked Questions

What is the IUPAC name of [6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methylazanium?
The IUPAC name of [6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methylazanium (CID 58024804) is [6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methylazanium.
What is the SMILES notation for [6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methylazanium?
The canonical SMILES for [6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methylazanium is Cc1noc(C)c1-c1cnc2nc(C[NH3+])[nH]c2c1.
What is the InChIKey of [6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methylazanium?
The InChIKey is QCRRJLJSTFANQZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H13N5O/c1-6-11(7(2)18-17-6)8-3-9-12(14-5-8)16-10(4-13)15-9/h3,5H,4,13H2,1-2H3,(H,14,15,16)/p+1.
What are the key properties of [6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methylazanium?
[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methylazanium has a molecular weight of 244.28 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methylazanium is sourced from PubChem (CID 58024804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).