N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1,2-oxazole-3-carboxamide

C14H12N2O3S — CID 97084288

IUPACN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC[C@H](O)c1cc2ccccc2s1)c1ccon1
InChIInChI=1S/C14H12N2O3S/c17-11(8-15-14(18)10-5-6-19-16-10)13-7-9-3-1-2-4-12(9)20-13/h1-7,11,17H,8H2,(H,15,18)/t11-/m0/s1
InChIKeyAMORMWJNDOJKTF-NSHDSACASA-N
MW288.33 g/mol
LogP2.35
Rot. Bonds4

About N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1,2-oxazole-3-carboxamide

N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1,2-oxazole-3-carboxamide (PubChem CID 97084288) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1,2-oxazole-3-carboxamide
PubChem CID97084288
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC[C@H](O)c1cc2ccccc2s1)c1ccon1
InChIInChI=1S/C14H12N2O3S/c17-11(8-15-14(18)10-5-6-19-16-10)13-7-9-3-1-2-4-12(9)20-13/h1-7,11,17H,8H2,(H,15,18)/t11-/m0/s1
InChIKeyAMORMWJNDOJKTF-NSHDSACASA-N
XLogP2.35
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
CID 97073876
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide
CID 97084277
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide
CID 97084278
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(cyclopropanecarbonylamino)benzamide
CID 97017538
N-(2-hydroxy-2-thiophen-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 103686497
(3R)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoic acid
CID 102424617
N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide
CID 110007533
7-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]heptanamide
CID 119788149
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-fluoro-4-methoxybenzamide
CID 97063401
2-[2-(dimethylsulfamoylamino)-1-hydroxyethyl]-1-benzothiophene
CID 71967723
3-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-phenylpropanamide
CID 119788161
N-(2-hydroxy-2-phenylethyl)-1-benzothiophene-2-carboxamide
CID 43393393

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1,2-oxazole-3-carboxamide (CID 97084288) is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1,2-oxazole-3-carboxamide is O=C(NC[C@H](O)c1cc2ccccc2s1)c1ccon1.
What is the InChIKey of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is AMORMWJNDOJKTF-NSHDSACASA-N. The full InChI is InChI=1S/C14H12N2O3S/c17-11(8-15-14(18)10-5-6-19-16-10)13-7-9-3-1-2-4-12(9)20-13/h1-7,11,17H,8H2,(H,15,18)/t11-/m0/s1.
What are the key properties of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1,2-oxazole-3-carboxamide?
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 97084288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).