5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine

C12H13N5O — CID 81135716

IUPAC5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine
SMILESCc1cc(Cn2c(N)nc3ccc(C)nc32)on1
InChIInChI=1S/C12H13N5O/c1-7-3-4-10-11(14-7)17(12(13)15-10)6-9-5-8(2)16-18-9/h3-5H,6H2,1-2H3,(H2,13,15)
InChIKeyRTHHWWYFRFCVPZ-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.67
Rot. Bonds2

About 5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine

5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 81135716) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine
PubChem CID81135716
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine
SMILESCc1cc(Cn2c(N)nc3ccc(C)nc32)on1
InChIInChI=1S/C12H13N5O/c1-7-3-4-10-11(14-7)17(12(13)15-10)6-9-5-8(2)16-18-9/h3-5H,6H2,1-2H3,(H2,13,15)
InChIKeyRTHHWWYFRFCVPZ-UHFFFAOYSA-N
XLogP1.67
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine (CID 81135716) is 5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine is Cc1cc(Cn2c(N)nc3ccc(C)nc32)on1.
What is the InChIKey of 5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is RTHHWWYFRFCVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-7-3-4-10-11(14-7)17(12(13)15-10)6-9-5-8(2)16-18-9/h3-5H,6H2,1-2H3,(H2,13,15).
What are the key properties of 5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 243.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 81135716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).