5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N'-(pyridine-4-carbonyl)-1,2-oxazole-3-carbohydrazide

C19H15N5O4S — CID 44541623

IUPAC5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N'-(pyridine-4-carbonyl)-1,2-oxazole-3-carbohydrazide
SMILESCc1nc2cc(OCc3cc(C(=O)NNC(=O)c4ccncc4)no3)ccc2s1
InChIInChI=1S/C19H15N5O4S/c1-11-21-15-8-13(2-3-17(15)29-11)27-10-14-9-16(24-28-14)19(26)23-22-18(25)12-4-6-20-7-5-12/h2-9H,10H2,1H3,(H,22,25)(H,23,26)
InChIKeyGBMIQHWVHKNBFF-UHFFFAOYSA-N
MW409.43 g/mol
LogP2.64
Rot. Bonds5

About 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N'-(pyridine-4-carbonyl)-1,2-oxazole-3-carbohydrazide

5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N'-(pyridine-4-carbonyl)-1,2-oxazole-3-carbohydrazide (PubChem CID 44541623) has the molecular formula C19H15N5O4S and a molecular weight of 409.43 g/mol. Its IUPAC name is 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N'-(pyridine-4-carbonyl)-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N'-(pyridine-4-carbonyl)-1,2-oxazole-3-carbohydrazide
PubChem CID44541623
Molecular FormulaC19H15N5O4S
Molecular Weight409.43 g/mol
Exact Mass409.08
IUPAC Name5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N'-(pyridine-4-carbonyl)-1,2-oxazole-3-carbohydrazide
SMILESCc1nc2cc(OCc3cc(C(=O)NNC(=O)c4ccncc4)no3)ccc2s1
InChIInChI=1S/C19H15N5O4S/c1-11-21-15-8-13(2-3-17(15)29-11)27-10-14-9-16(24-28-14)19(26)23-22-18(25)12-4-6-20-7-5-12/h2-9H,10H2,1H3,(H,22,25)(H,23,26)
InChIKeyGBMIQHWVHKNBFF-UHFFFAOYSA-N
XLogP2.64
TPSA119.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-[[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carbonyl]amino]-2-phenylacetate
CID 44542058
[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 45233636
N-(cyclobutylmethyl)-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 45183054
N-methyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[2-(oxan-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 45219552
2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 42508088
5-ethoxy-2-methyl-1,3-benzothiazole
CID 832782
N-[(2S)-2,3-dihydroxypropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide
CID 56749315
N-hexan-3-yl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide
CID 72927326
5-tert-butyl-N'-(4-pyridin-4-yloxybenzoyl)-1,2-oxazole-3-carbohydrazide
CID 11199849
N-(1-pyridin-4-ylpropyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 45252047
N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide
CID 95221880
5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole
CID 171855018

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N'-(pyridine-4-carbonyl)-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N'-(pyridine-4-carbonyl)-1,2-oxazole-3-carbohydrazide (CID 44541623) is 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N'-(pyridine-4-carbonyl)-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N'-(pyridine-4-carbonyl)-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N'-(pyridine-4-carbonyl)-1,2-oxazole-3-carbohydrazide is Cc1nc2cc(OCc3cc(C(=O)NNC(=O)c4ccncc4)no3)ccc2s1.
What is the InChIKey of 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N'-(pyridine-4-carbonyl)-1,2-oxazole-3-carbohydrazide?
The InChIKey is GBMIQHWVHKNBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4S/c1-11-21-15-8-13(2-3-17(15)29-11)27-10-14-9-16(24-28-14)19(26)23-22-18(25)12-4-6-20-7-5-12/h2-9H,10H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N'-(pyridine-4-carbonyl)-1,2-oxazole-3-carbohydrazide?
5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N'-(pyridine-4-carbonyl)-1,2-oxazole-3-carbohydrazide has a molecular weight of 409.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N'-(pyridine-4-carbonyl)-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 44541623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).