5-methyl-4-[4-(7-methyl-1,6-dihydropyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1,3-oxazole

C15H14N4OS — CID 156716994

IUPAC5-methyl-4-[4-(7-methyl-1,6-dihydropyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1,3-oxazole
SMILESCc1ocnc1-c1nc(-c2c[nH]c3c2C=CCN3C)cs1
InChIInChI=1S/C15H14N4OS/c1-9-13(17-8-20-9)15-18-12(7-21-15)11-6-16-14-10(11)4-3-5-19(14)2/h3-4,6-8,16H,5H2,1-2H3
InChIKeyGVKNWUWFRRKDKR-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.56
Rot. Bonds2

About 5-methyl-4-[4-(7-methyl-1,6-dihydropyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1,3-oxazole

5-methyl-4-[4-(7-methyl-1,6-dihydropyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1,3-oxazole (PubChem CID 156716994) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-methyl-4-[4-(7-methyl-1,6-dihydropyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[4-(7-methyl-1,6-dihydropyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1,3-oxazole
PubChem CID156716994
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name5-methyl-4-[4-(7-methyl-1,6-dihydropyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1,3-oxazole
SMILESCc1ocnc1-c1nc(-c2c[nH]c3c2C=CCN3C)cs1
InChIInChI=1S/C15H14N4OS/c1-9-13(17-8-20-9)15-18-12(7-21-15)11-6-16-14-10(11)4-3-5-19(14)2/h3-4,6-8,16H,5H2,1-2H3
InChIKeyGVKNWUWFRRKDKR-UHFFFAOYSA-N
XLogP3.56
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1,3-oxazole
CID 156210321
4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1,3-oxazole
CID 156241575
4-[4-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]-5-methyl-1,3-oxazole
CID 156241676
4-[4-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]-2-methyl-1,3-oxazole;propane
CID 156716959
5-tert-butyl-4-ethenyl-1H-imidazole;5-tert-butyl-4-ethenyl-1,3-oxazole;4-tert-butyl-2-ethenylpyridine;3-tert-butyl-2-ethenyl-1H-pyrrole;5-tert-butyl-4-ethenyl-1,3-thiazole;methane
CID 159320891
5-tert-butyl-4-ethenyl-1H-imidazole;5-tert-butyl-4-ethenyl-1,3-oxazole;4-tert-butyl-2-ethenylpyridine;3-tert-butyl-2-ethenyl-1H-pyrrole;5-tert-butyl-4-ethenyl-1,3-thiazole
CID 159941043
5-tert-butyl-4-ethenyl-1H-imidazole;5-tert-butyl-4-ethenyl-1,3-oxazole;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-5-ethenyl-3H-pyrrole;5-tert-butyl-4-ethenyl-1,3-thiazole
CID 161102804
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 87044624
4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 155990353
4-[4-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]-2-methyl-1,3-oxazole
CID 156716960

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[4-(7-methyl-1,6-dihydropyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1,3-oxazole?
The IUPAC name of 5-methyl-4-[4-(7-methyl-1,6-dihydropyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1,3-oxazole (CID 156716994) is 5-methyl-4-[4-(7-methyl-1,6-dihydropyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[4-(7-methyl-1,6-dihydropyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[4-(7-methyl-1,6-dihydropyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1,3-oxazole is Cc1ocnc1-c1nc(-c2c[nH]c3c2C=CCN3C)cs1.
What is the InChIKey of 5-methyl-4-[4-(7-methyl-1,6-dihydropyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1,3-oxazole?
The InChIKey is GVKNWUWFRRKDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-9-13(17-8-20-9)15-18-12(7-21-15)11-6-16-14-10(11)4-3-5-19(14)2/h3-4,6-8,16H,5H2,1-2H3.
What are the key properties of 5-methyl-4-[4-(7-methyl-1,6-dihydropyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1,3-oxazole?
5-methyl-4-[4-(7-methyl-1,6-dihydropyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1,3-oxazole has a molecular weight of 298.37 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[4-(7-methyl-1,6-dihydropyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1,3-oxazole is sourced from PubChem (CID 156716994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).