methyl 4-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate

C16H15N3O3S — CID 66643655

IUPACmethyl 4-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(CCc2conc2-c2ccccn2)nc1C
InChIInChI=1S/C16H15N3O3S/c1-10-15(16(20)21-2)23-13(18-10)7-6-11-9-22-19-14(11)12-5-3-4-8-17-12/h3-5,8-9H,6-7H2,1-2H3
InChIKeyXCBKLNBQRMPNOH-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.07
Rot. Bonds5

About methyl 4-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate (PubChem CID 66643655) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is methyl 4-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate
PubChem CID66643655
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Namemethyl 4-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(CCc2conc2-c2ccccn2)nc1C
InChIInChI=1S/C16H15N3O3S/c1-10-15(16(20)21-2)23-13(18-10)7-6-11-9-22-19-14(11)12-5-3-4-8-17-12/h3-5,8-9H,6-7H2,1-2H3
InChIKeyXCBKLNBQRMPNOH-UHFFFAOYSA-N
XLogP3.07
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate
CID 59568508
methyl 3-pyridin-2-yl-1,2-oxazole-4-carboxylate
CID 767299
4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 66643567
methyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate
CID 83971405
methyl 4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxylate
CID 115327961
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389332
4-methyl-N-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389297
methyl 4-[(dimethylamino)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 58504091
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 9137209
N-[2-(2-fluorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389314
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 134040764
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 9137814

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate (CID 66643655) is methyl 4-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(CCc2conc2-c2ccccn2)nc1C.
What is the InChIKey of methyl 4-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate?
The InChIKey is XCBKLNBQRMPNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10-15(16(20)21-2)23-13(18-10)7-6-11-9-22-19-14(11)12-5-3-4-8-17-12/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of methyl 4-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate has a molecular weight of 329.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 66643655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).