(5-methyl-1,3-oxazol-2-yl)methyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate

C16H14N2O3S — CID 75448900

IUPAC(5-methyl-1,3-oxazol-2-yl)methyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate
SMILESCc1cnc(COC(=O)c2nc(C)sc2-c2ccccc2)o1
InChIInChI=1S/C16H14N2O3S/c1-10-8-17-13(21-10)9-20-16(19)14-15(22-11(2)18-14)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeyPGUJRVPPIHGVAA-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.77
Rot. Bonds4

About (5-methyl-1,3-oxazol-2-yl)methyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate

(5-methyl-1,3-oxazol-2-yl)methyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate (PubChem CID 75448900) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is (5-methyl-1,3-oxazol-2-yl)methyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(5-methyl-1,3-oxazol-2-yl)methyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate
PubChem CID75448900
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name(5-methyl-1,3-oxazol-2-yl)methyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate
SMILESCc1cnc(COC(=O)c2nc(C)sc2-c2ccccc2)o1
InChIInChI=1S/C16H14N2O3S/c1-10-8-17-13(21-10)9-20-16(19)14-15(22-11(2)18-14)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeyPGUJRVPPIHGVAA-UHFFFAOYSA-N
XLogP3.77
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
(5-methyl-1,3-oxazol-2-yl)methyl acetate
CID 53488039
(2-bromophenyl) 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate
CID 43854679
ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110651262
ethyl 2-methyl-5-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 53271415
ethyl 2-(acetyloxymethyl)-5-phenyl-1,3-thiazole-4-carboxylate
CID 59291434
[(2S)-pent-4-yn-2-yl] 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate
CID 97342349
(5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 8861226
ethyl 2-formyl-5-phenyl-1,3-thiazole-4-carboxylate
CID 59291290
(5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate
CID 8968981
N-[(2S)-1-aminopropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68727128

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-oxazol-2-yl)methyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate?
The IUPAC name of (5-methyl-1,3-oxazol-2-yl)methyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate (CID 75448900) is (5-methyl-1,3-oxazol-2-yl)methyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (5-methyl-1,3-oxazol-2-yl)methyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for (5-methyl-1,3-oxazol-2-yl)methyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate is Cc1cnc(COC(=O)c2nc(C)sc2-c2ccccc2)o1.
What is the InChIKey of (5-methyl-1,3-oxazol-2-yl)methyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate?
The InChIKey is PGUJRVPPIHGVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-10-8-17-13(21-10)9-20-16(19)14-15(22-11(2)18-14)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3.
What are the key properties of (5-methyl-1,3-oxazol-2-yl)methyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate?
(5-methyl-1,3-oxazol-2-yl)methyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate has a molecular weight of 314.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-oxazol-2-yl)methyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 75448900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).