3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propanoic acid

C13H15N3O4S — CID 167927950

IUPAC3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propanoic acid
SMILESO=C(O)CCN1CCOCC1c1nc(-c2cccs2)no1
InChIInChI=1S/C13H15N3O4S/c17-11(18)3-4-16-5-6-19-8-9(16)13-14-12(15-20-13)10-2-1-7-21-10/h1-2,7,9H,3-6,8H2,(H,17,18)
InChIKeyKYEKEYVPDPRYPD-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.65
Rot. Bonds5

About 3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propanoic acid

3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propanoic acid (PubChem CID 167927950) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propanoic acid
PubChem CID167927950
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propanoic acid
SMILESO=C(O)CCN1CCOCC1c1nc(-c2cccs2)no1
InChIInChI=1S/C13H15N3O4S/c17-11(18)3-4-16-5-6-19-8-9(16)13-14-12(15-20-13)10-2-1-7-21-10/h1-2,7,9H,3-6,8H2,(H,17,18)
InChIKeyKYEKEYVPDPRYPD-UHFFFAOYSA-N
XLogP1.65
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(piperidin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120858346
(3S)-N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carboxamide
CID 100763732
1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carbonyl]phenyl]piperidin-2-one
CID 119037790
ethyl 5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]pentanoate
CID 129009308
(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholine
CID 100758321
2-thiophen-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 1453694
3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054
6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid
CID 43150077
N-(2-morpholin-4-ylethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43045209
1-cyclopent-2-en-1-yl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 24804269
N-[(4-chlorophenyl)methyl]-2-[(2S)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 95104348
4,4,4-trifluoro-1-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 52952732

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propanoic acid?
The IUPAC name of 3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propanoic acid (CID 167927950) is 3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propanoic acid.
What is the SMILES notation for 3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propanoic acid?
The canonical SMILES for 3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propanoic acid is O=C(O)CCN1CCOCC1c1nc(-c2cccs2)no1.
What is the InChIKey of 3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propanoic acid?
The InChIKey is KYEKEYVPDPRYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c17-11(18)3-4-16-5-6-19-8-9(16)13-14-12(15-20-13)10-2-1-7-21-10/h1-2,7,9H,3-6,8H2,(H,17,18).
What are the key properties of 3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propanoic acid?
3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propanoic acid has a molecular weight of 309.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propanoic acid is sourced from PubChem (CID 167927950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).