N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C16H16N2O4S — CID 129356549

IUPACN-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC[C@H](O)c1ccc(-c2ccsc2)o1
InChIInChI=1S/C16H16N2O4S/c1-9-15(10(2)22-18-9)16(20)17-7-12(19)14-4-3-13(21-14)11-5-6-23-8-11/h3-6,8,12,19H,7H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyFDYRVNLIUPEVJZ-LBPRGKRZSA-N
MW332.38 g/mol
LogP3.08
Rot. Bonds5

About N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 129356549) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID129356549
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC[C@H](O)c1ccc(-c2ccsc2)o1
InChIInChI=1S/C16H16N2O4S/c1-9-15(10(2)22-18-9)16(20)17-7-12(19)14-4-3-13(21-14)11-5-6-23-8-11/h3-6,8,12,19H,7H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyFDYRVNLIUPEVJZ-LBPRGKRZSA-N
XLogP3.08
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

3-(2-chlorophenyl)-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 129356056
2,6-difluoro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide
CID 122244233
N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylbenzamide
CID 129356603
2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide
CID 129355868
N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylsulfanylbenzamide
CID 122244235
3-(furan-3-yl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]prop-2-enamide
CID 171130476
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 100725505
N'-[4-(dimethylamino)phenyl]-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]oxamide
CID 129356579
N'-[4-(dimethylamino)phenyl]-N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]oxamide
CID 129356578
N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]oxamide
CID 119102007
2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]acetamide
CID 129357403
N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide
CID 129357446

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 129356549) is N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC[C@H](O)c1ccc(-c2ccsc2)o1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is FDYRVNLIUPEVJZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-9-15(10(2)22-18-9)16(20)17-7-12(19)14-4-3-13(21-14)11-5-6-23-8-11/h3-6,8,12,19H,7H2,1-2H3,(H,17,20)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 129356549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).