methyl 2-[ethyl-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamoyl]benzoate

C20H26N2O5 — CID 121315721

IUPACmethyl 2-[ethyl-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamoyl]benzoate
SMILESCCN(CCc1nc(C(C)(C)O)c(C)o1)C(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C20H26N2O5/c1-6-22(12-11-16-21-17(13(2)27-16)20(3,4)25)18(23)14-9-7-8-10-15(14)19(24)26-5/h7-10,25H,6,11-12H2,1-5H3
InChIKeyYEOIUAOVKUYCCN-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.70
Rot. Bonds7

About methyl 2-[ethyl-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamoyl]benzoate

methyl 2-[ethyl-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamoyl]benzoate (PubChem CID 121315721) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is methyl 2-[ethyl-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[ethyl-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamoyl]benzoate
PubChem CID121315721
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Namemethyl 2-[ethyl-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamoyl]benzoate
SMILESCCN(CCc1nc(C(C)(C)O)c(C)o1)C(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C20H26N2O5/c1-6-22(12-11-16-21-17(13(2)27-16)20(3,4)25)18(23)14-9-7-8-10-15(14)19(24)26-5/h7-10,25H,6,11-12H2,1-5H3
InChIKeyYEOIUAOVKUYCCN-UHFFFAOYSA-N
XLogP2.70
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[ethyl-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamoyl]benzoate with MolForge

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Related Compounds

benzyl N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamate
CID 121344887
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 153437220
ethane;N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-N-prop-2-enyl-2-(triazol-2-yl)benzamide
CID 145069724
N-ethyl-N-[2-[5-methyl-4-(2-methylpropanoyl)-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 121315771
trimethylsilyl 2-(diethylcarbamoyl)benzoate
CID 12716767
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 121413939
N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrimidin-2-ylbenzamide
CID 121413896
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-[butyl(pyridin-2-ylmethyl)carbamoyl]benzoate
CID 42778769
methyl 2-(diethylaminomethyl)-1,3-benzoxazole-4-carboxylate
CID 68994690
N-ethyl-2-hydrazinyl-N-propylbenzamide
CID 62243548

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamoyl]benzoate?
The IUPAC name of methyl 2-[ethyl-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamoyl]benzoate (CID 121315721) is methyl 2-[ethyl-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 2-[ethyl-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamoyl]benzoate?
The canonical SMILES for methyl 2-[ethyl-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamoyl]benzoate is CCN(CCc1nc(C(C)(C)O)c(C)o1)C(=O)c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[ethyl-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamoyl]benzoate?
The InChIKey is YEOIUAOVKUYCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-6-22(12-11-16-21-17(13(2)27-16)20(3,4)25)18(23)14-9-7-8-10-15(14)19(24)26-5/h7-10,25H,6,11-12H2,1-5H3.
What are the key properties of methyl 2-[ethyl-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamoyl]benzoate?
methyl 2-[ethyl-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamoyl]benzoate has a molecular weight of 374.44 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamoyl]benzoate is sourced from PubChem (CID 121315721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).