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

C21H25N3O4S — CID 45219552

IUPACN-methyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[2-(oxan-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1nc2cc(OCc3cc(C(=O)N(C)CCC4CCCCO4)no3)ccc2s1
InChIInChI=1S/C21H25N3O4S/c1-14-22-18-11-16(6-7-20(18)29-14)27-13-17-12-19(23-28-17)21(25)24(2)9-8-15-5-3-4-10-26-15/h6-7,11-12,15H,3-5,8-10,13H2,1-2H3
InChIKeyXCBZNZIUIMJCPG-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.20
Rot. Bonds7

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

N-methyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[2-(oxan-2-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 45219552) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-methyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[2-(oxan-2-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[2-(oxan-2-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID45219552
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-methyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[2-(oxan-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1nc2cc(OCc3cc(C(=O)N(C)CCC4CCCCO4)no3)ccc2s1
InChIInChI=1S/C21H25N3O4S/c1-14-22-18-11-16(6-7-20(18)29-14)27-13-17-12-19(23-28-17)21(25)24(2)9-8-15-5-3-4-10-26-15/h6-7,11-12,15H,3-5,8-10,13H2,1-2H3
InChIKeyXCBZNZIUIMJCPG-UHFFFAOYSA-N
XLogP4.20
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(cyclobutylmethyl)-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 45183054
N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 56741300
N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96579479
[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 45233636
5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N'-(pyridine-4-carbonyl)-1,2-oxazole-3-carbohydrazide
CID 44541623
N-(3-cyclopentylpropyl)-5-[(2,6-dimethylphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 42348608
N-[(2S)-2-hydroxypropyl]-N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide
CID 95209846
N-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 40967638
methyl (2R)-2-[[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carbonyl]amino]-2-phenylacetate
CID 44542058
N-methyl-N-propyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 56744732
N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 56750009
5-[(4-acetylphenoxy)methyl]-N-(2-hydroxyethyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 56744931

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[2-(oxan-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[2-(oxan-2-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 45219552) is N-methyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[2-(oxan-2-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[2-(oxan-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[2-(oxan-2-yl)ethyl]-1,2-oxazole-3-carboxamide is Cc1nc2cc(OCc3cc(C(=O)N(C)CCC4CCCCO4)no3)ccc2s1.
What is the InChIKey of N-methyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[2-(oxan-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is XCBZNZIUIMJCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-14-22-18-11-16(6-7-20(18)29-14)27-13-17-12-19(23-28-17)21(25)24(2)9-8-15-5-3-4-10-26-15/h6-7,11-12,15H,3-5,8-10,13H2,1-2H3.
What are the key properties of N-methyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[2-(oxan-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
N-methyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[2-(oxan-2-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[2-(oxan-2-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45219552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).