4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole

C10H16N2OS — CID 106924606

IUPAC4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole
SMILESCc1nc(SC[C@H]2CCCN2)oc1C
InChIInChI=1S/C10H16N2OS/c1-7-8(2)13-10(12-7)14-6-9-4-3-5-11-9/h9,11H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyWWMQKLTVVRAVSD-SECBINFHSA-N
MW212.32 g/mol
LogP2.14
Rot. Bonds3

About 4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole

4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole (PubChem CID 106924606) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole
PubChem CID106924606
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole
SMILESCc1nc(SC[C@H]2CCCN2)oc1C
InChIInChI=1S/C10H16N2OS/c1-7-8(2)13-10(12-7)14-6-9-4-3-5-11-9/h9,11H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyWWMQKLTVVRAVSD-SECBINFHSA-N
XLogP2.14
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyrrolidine
CID 107781606
2-[(4-methylphenyl)sulfanylmethyl]pyrrolidine;hydrochloride
CID 72716499
5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine
CID 71638847
4-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-thiazole;hydrochloride
CID 72716508
4-chloro-6-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 97163210
4-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 136789522
2-[(2-methylfuran-3-yl)sulfanylmethyl]piperidine
CID 107781623
(2R)-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyrrolidine
CID 102820293
3,4-dimethyl-5-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]-1,2,4-triazole
CID 102820369
2-(pyrrolidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-oxazole
CID 84660662
1-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106616386
2-phenyl-5-(piperidin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 71778033

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole (CID 106924606) is 4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole is Cc1nc(SC[C@H]2CCCN2)oc1C.
What is the InChIKey of 4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole?
The InChIKey is WWMQKLTVVRAVSD-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7-8(2)13-10(12-7)14-6-9-4-3-5-11-9/h9,11H,3-6H2,1-2H3/t9-/m1/s1.
What are the key properties of 4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole?
4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole has a molecular weight of 212.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole is sourced from PubChem (CID 106924606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).