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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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).