N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]-5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide

C16H16N2O3S2 — CID 138016947

IUPACN-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]-5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1ccsc1C(CO)NC(=O)c1c(-c2cccs2)noc1C
InChIInChI=1S/C16H16N2O3S2/c1-9-5-7-23-15(9)11(8-19)17-16(20)13-10(2)21-18-14(13)12-4-3-6-22-12/h3-7,11,19H,8H2,1-2H3,(H,17,20)
InChIKeyGBFUUGVBGAOGJR-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.54
Rot. Bonds5

About N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]-5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide

N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]-5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 138016947) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]-5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]-5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide
PubChem CID138016947
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC NameN-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]-5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1ccsc1C(CO)NC(=O)c1c(-c2cccs2)noc1C
InChIInChI=1S/C16H16N2O3S2/c1-9-5-7-23-15(9)11(8-19)17-16(20)13-10(2)21-18-14(13)12-4-3-6-22-12/h3-7,11,19H,8H2,1-2H3,(H,17,20)
InChIKeyGBFUUGVBGAOGJR-UHFFFAOYSA-N
XLogP3.54
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide
CID 116860798
N-(1-hydroxypropan-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 43418627
(2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol
CID 130738998
5-methyl-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide
CID 40819505
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 103944578
3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 24980783
3-(5-bromothiophen-2-yl)-N-[(2S)-butan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 95063974
3-(5-bromothiophen-2-yl)-N-butan-2-yl-5-methyl-1,2-oxazole-4-carboxamide
CID 53052713
3-(5-bromothiophen-2-yl)-N-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 53052728
3-(2-chlorophenyl)-5-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 122264336
3,5-dimethyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,2-oxazole-4-carboxamide
CID 95791881
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate
CID 51966261

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]-5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]-5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide (CID 138016947) is N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]-5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]-5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]-5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide is Cc1ccsc1C(CO)NC(=O)c1c(-c2cccs2)noc1C.
What is the InChIKey of N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]-5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is GBFUUGVBGAOGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-9-5-7-23-15(9)11(8-19)17-16(20)13-10(2)21-18-14(13)12-4-3-6-22-12/h3-7,11,19H,8H2,1-2H3,(H,17,20).
What are the key properties of N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]-5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide?
N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]-5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]-5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 138016947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).