N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide

C17H12N4O3S — CID 52904179

IUPACN-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1nnc(COc2ccccc2)o1)c1nc2ccccc2s1
InChIInChI=1S/C17H12N4O3S/c22-15(16-18-12-8-4-5-9-13(12)25-16)19-17-21-20-14(24-17)10-23-11-6-2-1-3-7-11/h1-9H,10H2,(H,19,21,22)
InChIKeyAQTFUTFBUMJNSO-UHFFFAOYSA-N
MW352.38 g/mol
LogP3.51
Rot. Bonds5

About N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide

N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide (PubChem CID 52904179) has the molecular formula C17H12N4O3S and a molecular weight of 352.38 g/mol. Its IUPAC name is N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
PubChem CID52904179
Molecular FormulaC17H12N4O3S
Molecular Weight352.38 g/mol
Exact Mass352.06
IUPAC NameN-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1nnc(COc2ccccc2)o1)c1nc2ccccc2s1
InChIInChI=1S/C17H12N4O3S/c22-15(16-18-12-8-4-5-9-13(12)25-16)19-17-21-20-14(24-17)10-23-11-6-2-1-3-7-11/h1-9H,10H2,(H,19,21,22)
InChIKeyAQTFUTFBUMJNSO-UHFFFAOYSA-N
XLogP3.51
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 44921587
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 16917858
4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 11078012
N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 16854327
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 43976965
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4259947
N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide
CID 5124389
N'-(benzenesulfonyl)-1,3-benzothiazole-2-carbohydrazide
CID 125485508
2-(4-chlorophenoxy)-2-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 52904168

Frequently Asked Questions

What is the IUPAC name of N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide (CID 52904179) is N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide is O=C(Nc1nnc(COc2ccccc2)o1)c1nc2ccccc2s1.
What is the InChIKey of N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is AQTFUTFBUMJNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3S/c22-15(16-18-12-8-4-5-9-13(12)25-16)19-17-21-20-14(24-17)10-23-11-6-2-1-3-7-11/h1-9H,10H2,(H,19,21,22).
What are the key properties of N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 352.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 52904179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).