(3S,4R)-3-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)oxolan-2-one

C11H10N2O3S — CID 39767460

IUPAC(3S,4R)-3-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)oxolan-2-one
SMILESC[C@@H]1C(=O)OC[C@@H]1c1nc(-c2cccs2)no1
InChIInChI=1S/C11H10N2O3S/c1-6-7(5-15-11(6)14)10-12-9(13-16-10)8-3-2-4-17-8/h2-4,6-7H,5H2,1H3/t6-,7-/m0/s1
InChIKeyZZGTWYHPJQQIFM-BQBZGAKWSA-N
MW250.28 g/mol
LogP2.07
Rot. Bonds2

About (3S,4R)-3-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)oxolan-2-one

(3S,4R)-3-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)oxolan-2-one (PubChem CID 39767460) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is (3S,4R)-3-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)oxolan-2-one.

Molecular Properties

Compound Name(3S,4R)-3-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)oxolan-2-one
PubChem CID39767460
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name(3S,4R)-3-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)oxolan-2-one
SMILESC[C@@H]1C(=O)OC[C@@H]1c1nc(-c2cccs2)no1
InChIInChI=1S/C11H10N2O3S/c1-6-7(5-15-11(6)14)10-12-9(13-16-10)8-3-2-4-17-8/h2-4,6-7H,5H2,1H3/t6-,7-/m0/s1
InChIKeyZZGTWYHPJQQIFM-BQBZGAKWSA-N
XLogP2.07
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid
CID 43150077
2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile
CID 106523670
(5R,6R)-1-methyl-6-thiophen-2-yl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one
CID 97221755
5-(2-methylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 106743244
5-[(2S,4S)-2-methylpiperidin-4-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 120835592
(2R,3S)-2-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 120955597
N-propyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 106474293
2,2-dimethyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
CID 64835383
5-[1-[(1R)-1-phenylethyl]azetidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 94219095
(4R)-1-(4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 41015060
5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 52951031
(3R,5R)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104912125

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)oxolan-2-one?
The IUPAC name of (3S,4R)-3-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)oxolan-2-one (CID 39767460) is (3S,4R)-3-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)oxolan-2-one.
What is the SMILES notation for (3S,4R)-3-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)oxolan-2-one?
The canonical SMILES for (3S,4R)-3-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)oxolan-2-one is C[C@@H]1C(=O)OC[C@@H]1c1nc(-c2cccs2)no1.
What is the InChIKey of (3S,4R)-3-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)oxolan-2-one?
The InChIKey is ZZGTWYHPJQQIFM-BQBZGAKWSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-6-7(5-15-11(6)14)10-12-9(13-16-10)8-3-2-4-17-8/h2-4,6-7H,5H2,1H3/t6-,7-/m0/s1.
What are the key properties of (3S,4R)-3-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)oxolan-2-one?
(3S,4R)-3-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)oxolan-2-one has a molecular weight of 250.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)oxolan-2-one is sourced from PubChem (CID 39767460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).