N-(3-benzyl-1,3-thiazol-2-ylidene)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C17H17N3O2S — CID 18269929

IUPACN-(3-benzyl-1,3-thiazol-2-ylidene)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)/N=c1\sccn1Cc1ccccc1
InChIInChI=1S/C17H17N3O2S/c1-3-14-15(12(2)22-19-14)16(21)18-17-20(9-10-23-17)11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3/b18-17-
InChIKeyMAYDUBPYRDXAEZ-ZCXUNETKSA-N
MW327.41 g/mol
LogP3.20
Rot. Bonds4

About N-(3-benzyl-1,3-thiazol-2-ylidene)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-(3-benzyl-1,3-thiazol-2-ylidene)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 18269929) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(3-benzyl-1,3-thiazol-2-ylidene)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-benzyl-1,3-thiazol-2-ylidene)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID18269929
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(3-benzyl-1,3-thiazol-2-ylidene)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)/N=c1\sccn1Cc1ccccc1
InChIInChI=1S/C17H17N3O2S/c1-3-14-15(12(2)22-19-14)16(21)18-17-20(9-10-23-17)11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3/b18-17-
InChIKeyMAYDUBPYRDXAEZ-ZCXUNETKSA-N
XLogP3.20
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide
CID 38272852
N-(3-benzyl-1,3-thiazol-2-ylidene)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24607678
N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18293281
N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-4-oxophthalazine-1-carboxamide
CID 9194190
N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyltriazole-4-carboxamide
CID 18275464
N-(3-benzyl-1,3-thiazol-2-ylidene)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18285459
2-(2-amino-2-oxoethoxy)-N-(3-benzyl-1,3-thiazol-2-ylidene)benzamide
CID 24524444
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-oxo-3H-phthalazine-1-carboxamide
CID 24653558
4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
CID 7930627
4-methyl-N-[3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 93306639
N-(3-benzyl-1,3-thiazol-2-ylidene)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 38486353
(2R)-N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 32621990

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-1,3-thiazol-2-ylidene)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-benzyl-1,3-thiazol-2-ylidene)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 18269929) is N-(3-benzyl-1,3-thiazol-2-ylidene)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-benzyl-1,3-thiazol-2-ylidene)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-benzyl-1,3-thiazol-2-ylidene)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)/N=c1\sccn1Cc1ccccc1.
What is the InChIKey of N-(3-benzyl-1,3-thiazol-2-ylidene)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is MAYDUBPYRDXAEZ-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-3-14-15(12(2)22-19-14)16(21)18-17-20(9-10-23-17)11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3/b18-17-.
What are the key properties of N-(3-benzyl-1,3-thiazol-2-ylidene)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-(3-benzyl-1,3-thiazol-2-ylidene)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-1,3-thiazol-2-ylidene)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 18269929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).