(2S)-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid

C13H14N2O4S — CID 107564210

IUPAC(2S)-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)c1cc(-c2cccs2)on1)C(=O)O
InChIInChI=1S/C13H14N2O4S/c1-2-4-8(13(17)18)14-12(16)9-7-10(19-15-9)11-5-3-6-20-11/h3,5-8H,2,4H2,1H3,(H,14,16)(H,17,18)/t8-/m0/s1
InChIKeyWRABIDRZHDACII-QMMMGPOBSA-N
MW294.33 g/mol
LogP2.39
Rot. Bonds6

About (2S)-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid

(2S)-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid (PubChem CID 107564210) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is (2S)-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
PubChem CID107564210
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name(2S)-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)c1cc(-c2cccs2)on1)C(=O)O
InChIInChI=1S/C13H14N2O4S/c1-2-4-8(13(17)18)14-12(16)9-7-10(19-15-9)11-5-3-6-20-11/h3,5-8H,2,4H2,1H3,(H,14,16)(H,17,18)/t8-/m0/s1
InChIKeyWRABIDRZHDACII-QMMMGPOBSA-N
XLogP2.39
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
CID 43356462
(2S)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 61137275
(2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 79010933
N-(1-hydroxypropan-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 43418627
N-[2-(2-hydroxyethyl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 103722645
(2S)-2-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 107563777
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 106353110
2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 62695945
N-pentan-2-yl-5-phenyl-1,2-oxazole-3-carboxamide
CID 133149969
N-[(S)-phenyl(thiophen-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 92574304
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 52508994
methyl 3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoate
CID 43422688

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid (CID 107564210) is (2S)-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid is CCC[C@H](NC(=O)c1cc(-c2cccs2)on1)C(=O)O.
What is the InChIKey of (2S)-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid?
The InChIKey is WRABIDRZHDACII-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-2-4-8(13(17)18)14-12(16)9-7-10(19-15-9)11-5-3-6-20-11/h3,5-8H,2,4H2,1H3,(H,14,16)(H,17,18)/t8-/m0/s1.
What are the key properties of (2S)-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid?
(2S)-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid has a molecular weight of 294.33 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107564210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).