5-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]methyl]-1,2-oxazole

C15H13N5O — CID 44625839

IUPAC5-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(Cn2cc(-c3ccnc4[nH]ccc34)cn2)no1
InChIInChI=1S/C15H13N5O/c1-10-6-12(19-21-10)9-20-8-11(7-18-20)13-2-4-16-15-14(13)3-5-17-15/h2-8H,9H2,1H3,(H,16,17)
InChIKeyWDJYVOKJVVMXRK-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.77
Rot. Bonds3

About 5-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]methyl]-1,2-oxazole

5-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]methyl]-1,2-oxazole (PubChem CID 44625839) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]methyl]-1,2-oxazole
PubChem CID44625839
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name5-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(Cn2cc(-c3ccnc4[nH]ccc34)cn2)no1
InChIInChI=1S/C15H13N5O/c1-10-6-12(19-21-10)9-20-8-11(7-18-20)13-2-4-16-15-14(13)3-5-17-15/h2-8H,9H2,1H3,(H,16,17)
InChIKeyWDJYVOKJVVMXRK-UHFFFAOYSA-N
XLogP2.77
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 46868087
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
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CID 136491542

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]methyl]-1,2-oxazole (CID 44625839) is 5-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]methyl]-1,2-oxazole is Cc1cc(Cn2cc(-c3ccnc4[nH]ccc34)cn2)no1.
What is the InChIKey of 5-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is WDJYVOKJVVMXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-10-6-12(19-21-10)9-20-8-11(7-18-20)13-2-4-16-15-14(13)3-5-17-15/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 5-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]methyl]-1,2-oxazole?
5-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 279.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 44625839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).