methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate

C12H11NO3 — CID 776547

IUPACmethyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C)cc2)no1
InChIInChI=1S/C12H11NO3/c1-8-3-5-9(6-4-8)10-7-11(16-13-10)12(14)15-2/h3-7H,1-2H3
InChIKeyDQKLNXNTMSKHBC-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.44
Rot. Bonds2

About methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate

methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate (PubChem CID 776547) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
PubChem CID776547
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Namemethyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C)cc2)no1
InChIInChI=1S/C12H11NO3/c1-8-3-5-9(6-4-8)10-7-11(16-13-10)12(14)15-2/h3-7H,1-2H3
InChIKeyDQKLNXNTMSKHBC-UHFFFAOYSA-N
XLogP2.44
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-iodo-4-methoxyphenyl)-1,2-oxazole-5-carboxylate
CID 67512931
methyl 3-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2-oxazole-5-carboxylate
CID 159739301
3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide
CID 47269641
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427832
ethyl 3-(4-amino-3-methylphenyl)-1,2-oxazole-5-carboxylate
CID 67353967
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide
CID 78870510
3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid
CID 119212192
N-(4-methylcyclohexyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427023
2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid
CID 119237689
ethyl 3-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxylate
CID 139453528
N-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119522065
ethyl 3-(4-nitrophenyl)-1,2-oxazole-5-carboxylate
CID 949375

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate (CID 776547) is methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate is COC(=O)c1cc(-c2ccc(C)cc2)no1.
What is the InChIKey of methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate?
The InChIKey is DQKLNXNTMSKHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-8-3-5-9(6-4-8)10-7-11(16-13-10)12(14)15-2/h3-7H,1-2H3.
What are the key properties of methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate?
methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate has a molecular weight of 217.22 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 776547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).