N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide

C17H17N3O3S — CID 17405575

IUPACN-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCOCCc1ccc(-c2csc(NC(=O)c3cc(C)no3)n2)cc1
InChIInChI=1S/C17H17N3O3S/c1-11-9-15(23-20-11)16(21)19-17-18-14(10-24-17)13-5-3-12(4-6-13)7-8-22-2/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,21)
InChIKeyADCFIYFOWINCGN-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.55
Rot. Bonds6

About N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide

N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 17405575) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID17405575
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCOCCc1ccc(-c2csc(NC(=O)c3cc(C)no3)n2)cc1
InChIInChI=1S/C17H17N3O3S/c1-11-9-15(23-20-11)16(21)19-17-18-14(10-24-17)13-5-3-12(4-6-13)7-8-22-2/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,21)
InChIKeyADCFIYFOWINCGN-UHFFFAOYSA-N
XLogP3.55
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 9100665
3-fluoro-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 9100757
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 9100810
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide
CID 9117772
2-(2,5-dimethylphenoxy)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 9100839
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 16557500
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 16557483
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(methoxymethyl)furan-2-carboxamide
CID 78824534
3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3917091
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 2999703
5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 16953644
(2S)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26707892

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide (CID 17405575) is N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide is COCCc1ccc(-c2csc(NC(=O)c3cc(C)no3)n2)cc1.
What is the InChIKey of N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is ADCFIYFOWINCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11-9-15(23-20-11)16(21)19-17-18-14(10-24-17)13-5-3-12(4-6-13)7-8-22-2/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,21).
What are the key properties of N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17405575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).