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

C18H19N3O4S — CID 59569902

IUPACmethyl 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoate
SMILESCOC(=O)c1cc(C(=O)N(C)Cc2nc(C)cs2)cc(C2=NCCO2)c1
InChIInChI=1S/C18H19N3O4S/c1-11-10-26-15(20-11)9-21(2)17(22)13-6-12(16-19-4-5-25-16)7-14(8-13)18(23)24-3/h6-8,10H,4-5,9H2,1-3H3
InChIKeyRJDCTCGXFRZJRL-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.29
Rot. Bonds5

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

methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoate (PubChem CID 59569902) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoate
PubChem CID59569902
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Namemethyl 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoate
SMILESCOC(=O)c1cc(C(=O)N(C)Cc2nc(C)cs2)cc(C2=NCCO2)c1
InChIInChI=1S/C18H19N3O4S/c1-11-10-26-15(20-11)9-21(2)17(22)13-6-12(16-19-4-5-25-16)7-14(8-13)18(23)24-3/h6-8,10H,4-5,9H2,1-3H3
InChIKeyRJDCTCGXFRZJRL-UHFFFAOYSA-N
XLogP2.29
TPSA81.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoate?
The IUPAC name of methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoate (CID 59569902) is methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoate?
The canonical SMILES for methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoate is COC(=O)c1cc(C(=O)N(C)Cc2nc(C)cs2)cc(C2=NCCO2)c1.
What is the InChIKey of methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoate?
The InChIKey is RJDCTCGXFRZJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-11-10-26-15(20-11)9-21(2)17(22)13-6-12(16-19-4-5-25-16)7-14(8-13)18(23)24-3/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoate?
methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoate has a molecular weight of 373.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoate is sourced from PubChem (CID 59569902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).