N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide

C17H16N2O3S — CID 96521382

IUPACN-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC[C@@](O)(CNC(=O)c1cc(-c2ccccc2)on1)c1ccsc1
InChIInChI=1S/C17H16N2O3S/c1-17(21,13-7-8-23-10-13)11-18-16(20)14-9-15(22-19-14)12-5-3-2-4-6-12/h2-10,21H,11H2,1H3,(H,18,20)/t17-/m1/s1
InChIKeyDOFJKRQWRMNJBZ-QGZVFWFLSA-N
MW328.39 g/mol
LogP3.04
Rot. Bonds5

About N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 96521382) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID96521382
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC[C@@](O)(CNC(=O)c1cc(-c2ccccc2)on1)c1ccsc1
InChIInChI=1S/C17H16N2O3S/c1-17(21,13-7-8-23-10-13)11-18-16(20)14-9-15(22-19-14)12-5-3-2-4-6-12/h2-10,21H,11H2,1H3,(H,18,20)/t17-/m1/s1
InChIKeyDOFJKRQWRMNJBZ-QGZVFWFLSA-N
XLogP3.04
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-phenylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 111335201
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52907100
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52907101
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71781801
5-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-3-carboxamide
CID 111452029
N-[2-oxo-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52518637
N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide
CID 111452151
N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 91813432
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
N-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride
CID 119630359

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 96521382) is N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide is C[C@@](O)(CNC(=O)c1cc(-c2ccccc2)on1)c1ccsc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is DOFJKRQWRMNJBZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-17(21,13-7-8-23-10-13)11-18-16(20)14-9-15(22-19-14)12-5-3-2-4-6-12/h2-10,21H,11H2,1H3,(H,18,20)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 96521382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).