5-methyl-2-(3-methylthiophen-2-yl)-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole

C18H16N4OS — CID 56760563

IUPAC5-methyl-2-(3-methylthiophen-2-yl)-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCc1ccsc1-c1nc(Cn2ccnc2-c2ccccn2)c(C)o1
InChIInChI=1S/C18H16N4OS/c1-12-6-10-24-16(12)18-21-15(13(2)23-18)11-22-9-8-20-17(22)14-5-3-4-7-19-14/h3-10H,11H2,1-2H3
InChIKeyGTYMRPLTDMPINB-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.33
Rot. Bonds4

About 5-methyl-2-(3-methylthiophen-2-yl)-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole

5-methyl-2-(3-methylthiophen-2-yl)-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole (PubChem CID 56760563) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 5-methyl-2-(3-methylthiophen-2-yl)-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-(3-methylthiophen-2-yl)-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole
PubChem CID56760563
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name5-methyl-2-(3-methylthiophen-2-yl)-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCc1ccsc1-c1nc(Cn2ccnc2-c2ccccn2)c(C)o1
InChIInChI=1S/C18H16N4OS/c1-12-6-10-24-16(12)18-21-15(13(2)23-18)11-22-9-8-20-17(22)14-5-3-4-7-19-14/h3-10H,11H2,1-2H3
InChIKeyGTYMRPLTDMPINB-UHFFFAOYSA-N
XLogP4.33
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-Furyl)-3-(3-thienyl)imidazo [1,2-a]pyrazine
CID 117769709
N-[2-ethyl-8-(2-pyrrol-1-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide
CID 49790396
5-methyl-4-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-2-thiophen-3-yl-1,3-oxazole
CID 53573025
1-(5-isopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}methanamine
CID 56759213
4-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole
CID 56781674
2-ethyl-N-(furan-2-ylmethyl)-N-methyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
CID 172436453
4-({3H-Imidazo[4,5-C]pyridin-2-ylsulfanyl}methyl)-5-methyl-2-(thiophen-2-YL)-1,3-oxazole
CID 6625427
2,5-Dimethyl-3-(4-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}-1-piperazinyl)pyrazine
CID 25453348
N-[(5-Methylfuran-2-YL)methyl]-3-(thiophen-3-YL)imidazo[1,2-A]pyridine-2-carboxamide
CID 53168330
3-[2-(Furan-2-YL)-3H-imidazo[4,5-B]pyridin-3-YL]-1-(thiophene-3-carbonyl)pyrrolidine
CID 53186869
1-{3-[2-(Furan-2-YL)-3H-imidazo[4,5-B]pyridin-3-YL]pyrrolidin-1-YL}-2-(thiophen-3-YL)ethan-1-one
CID 53186875
ethyl 1-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}-1H-imidazole-2-carboxylate
CID 56750792

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylthiophen-2-yl)-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-(3-methylthiophen-2-yl)-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole (CID 56760563) is 5-methyl-2-(3-methylthiophen-2-yl)-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-(3-methylthiophen-2-yl)-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-(3-methylthiophen-2-yl)-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole is Cc1ccsc1-c1nc(Cn2ccnc2-c2ccccn2)c(C)o1.
What is the InChIKey of 5-methyl-2-(3-methylthiophen-2-yl)-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is GTYMRPLTDMPINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-12-6-10-24-16(12)18-21-15(13(2)23-18)11-22-9-8-20-17(22)14-5-3-4-7-19-14/h3-10H,11H2,1-2H3.
What are the key properties of 5-methyl-2-(3-methylthiophen-2-yl)-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole?
5-methyl-2-(3-methylthiophen-2-yl)-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 336.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylthiophen-2-yl)-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56760563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).