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

C15H15N3O3S — CID 44541765

IUPACN,N-dimethyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESCc1nc2cc(OCc3cc(C(=O)N(C)C)no3)ccc2s1
InChIInChI=1S/C15H15N3O3S/c1-9-16-12-6-10(4-5-14(12)22-9)20-8-11-7-13(17-21-11)15(19)18(2)3/h4-7H,8H2,1-3H3
InChIKeyPFDSSINRYBZVMP-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.87
Rot. Bonds4

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

N,N-dimethyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide (PubChem CID 44541765) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N,N-dimethyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide
PubChem CID44541765
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN,N-dimethyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESCc1nc2cc(OCc3cc(C(=O)N(C)C)no3)ccc2s1
InChIInChI=1S/C15H15N3O3S/c1-9-16-12-6-10(4-5-14(12)22-9)20-8-11-7-13(17-21-11)15(19)18(2)3/h4-7H,8H2,1-3H3
InChIKeyPFDSSINRYBZVMP-UHFFFAOYSA-N
XLogP2.87
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide (CID 44541765) is N,N-dimethyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide is Cc1nc2cc(OCc3cc(C(=O)N(C)C)no3)ccc2s1.
What is the InChIKey of N,N-dimethyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is PFDSSINRYBZVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-9-16-12-6-10(4-5-14(12)22-9)20-8-11-7-13(17-21-11)15(19)18(2)3/h4-7H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide?
N,N-dimethyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 44541765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).