benzyl 2-methyl-5-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxylate

C16H14N2O3S — CID 139763000

IUPACbenzyl 2-methyl-5-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxylate
SMILESCc1nc(C(=O)OCc2ccccc2)c(-c2ncc(C)s2)o1
InChIInChI=1S/C16H14N2O3S/c1-10-8-17-15(22-10)14-13(18-11(2)21-14)16(19)20-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeyMMLFNELYLRVCGD-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.77
Rot. Bonds4

About benzyl 2-methyl-5-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxylate

benzyl 2-methyl-5-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxylate (PubChem CID 139763000) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is benzyl 2-methyl-5-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-methyl-5-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxylate
PubChem CID139763000
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Namebenzyl 2-methyl-5-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxylate
SMILESCc1nc(C(=O)OCc2ccccc2)c(-c2ncc(C)s2)o1
InChIInChI=1S/C16H14N2O3S/c1-10-8-17-15(22-10)14-13(18-11(2)21-14)16(19)20-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeyMMLFNELYLRVCGD-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

Analyze benzyl 2-methyl-5-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate
CID 139762946
benzyl 5-tert-butyl-2-phenyl-1,3-thiazole-4-carboxylate
CID 44557232
tetrabenzyl 6-methylpyridine-2,3,4,5-tetracarboxylate
CID 126657451
benzyl 5-(5-bromo-1,3-benzothiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 139762956
benzyl 2-tert-butyl-5-methyl-1H-imidazole-4-carboxylate
CID 142503574
dibenzyl 4,6-dimethylpyridine-2,3-dicarboxylate
CID 170190396
ethyl 2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate
CID 146591456
benzyl 4,5-dimethyl-1,3-oxazole-2-carboxylate
CID 134511513
benzyl 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
CID 44556824
benzyl N-[(2S)-3-methyl-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]carbamate
CID 60616500
benzyl (Z)-3-hydroxy-2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)but-2-enoate
CID 177459686
benzyl 5-methyl-1,3,4-thiadiazole-2-carboxylate
CID 126672044

Frequently Asked Questions

What is the IUPAC name of benzyl 2-methyl-5-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of benzyl 2-methyl-5-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxylate (CID 139763000) is benzyl 2-methyl-5-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for benzyl 2-methyl-5-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for benzyl 2-methyl-5-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxylate is Cc1nc(C(=O)OCc2ccccc2)c(-c2ncc(C)s2)o1.
What is the InChIKey of benzyl 2-methyl-5-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is MMLFNELYLRVCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-10-8-17-15(22-10)14-13(18-11(2)21-14)16(19)20-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3.
What are the key properties of benzyl 2-methyl-5-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxylate?
benzyl 2-methyl-5-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-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 benzyl 2-methyl-5-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 139763000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).