N-benzyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide

C20H17N3O3S — CID 44541622

IUPACN-benzyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESCc1nc2cc(OCc3cc(C(=O)NCc4ccccc4)no3)ccc2s1
InChIInChI=1S/C20H17N3O3S/c1-13-22-17-9-15(7-8-19(17)27-13)25-12-16-10-18(23-26-16)20(24)21-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,21,24)
InChIKeyBHIGRCPUJMMBOE-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.10
Rot. Bonds6

About N-benzyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide

N-benzyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide (PubChem CID 44541622) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-benzyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide
PubChem CID44541622
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-benzyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESCc1nc2cc(OCc3cc(C(=O)NCc4ccccc4)no3)ccc2s1
InChIInChI=1S/C20H17N3O3S/c1-13-22-17-9-15(7-8-19(17)27-13)25-12-16-10-18(23-26-16)20(24)21-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,21,24)
InChIKeyBHIGRCPUJMMBOE-UHFFFAOYSA-N
XLogP4.10
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-benzyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide (CID 44541622) is N-benzyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-benzyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide is Cc1nc2cc(OCc3cc(C(=O)NCc4ccccc4)no3)ccc2s1.
What is the InChIKey of N-benzyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BHIGRCPUJMMBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-13-22-17-9-15(7-8-19(17)27-13)25-12-16-10-18(23-26-16)20(24)21-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,21,24).
What are the key properties of N-benzyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide?
N-benzyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 44541622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).