5-methyl-2-thiophen-2-yl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole

C17H18N2OS2 — CID 30238946

IUPAC5-methyl-2-thiophen-2-yl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESCc1oc(-c2cccs2)nc1CN1CCC[C@@H]1c1cccs1
InChIInChI=1S/C17H18N2OS2/c1-12-13(18-17(20-12)16-7-4-10-22-16)11-19-8-2-5-14(19)15-6-3-9-21-15/h3-4,6-7,9-10,14H,2,5,8,11H2,1H3/t14-/m1/s1
InChIKeyUNHVZYMLLNCHOL-CQSZACIVSA-N
MW330.48 g/mol
LogP5.11
Rot. Bonds4

About 5-methyl-2-thiophen-2-yl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole

5-methyl-2-thiophen-2-yl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole (PubChem CID 30238946) has the molecular formula C17H18N2OS2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 5-methyl-2-thiophen-2-yl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-thiophen-2-yl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole
PubChem CID30238946
Molecular FormulaC17H18N2OS2
Molecular Weight330.48 g/mol
Exact Mass330.09
IUPAC Name5-methyl-2-thiophen-2-yl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESCc1oc(-c2cccs2)nc1CN1CCC[C@@H]1c1cccs1
InChIInChI=1S/C17H18N2OS2/c1-12-13(18-17(20-12)16-7-4-10-22-16)11-19-8-2-5-14(19)15-6-3-9-21-15/h3-4,6-7,9-10,14H,2,5,8,11H2,1H3/t14-/m1/s1
InChIKeyUNHVZYMLLNCHOL-CQSZACIVSA-N
XLogP5.11
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-thiophen-2-yl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole
CID 30238949
5-methyl-4-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 35250688
5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 26333322
[(2R)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 78916202
[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 62014930
[3-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788849
5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 42465919
4-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 42382192
5-methyl-4-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 45192200
(3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
CID 81491549
4-[(2,5-dimethylpiperazin-1-yl)methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 64980669
5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42357603

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-thiophen-2-yl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-thiophen-2-yl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole (CID 30238946) is 5-methyl-2-thiophen-2-yl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-thiophen-2-yl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-thiophen-2-yl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole is Cc1oc(-c2cccs2)nc1CN1CCC[C@@H]1c1cccs1.
What is the InChIKey of 5-methyl-2-thiophen-2-yl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is UNHVZYMLLNCHOL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N2OS2/c1-12-13(18-17(20-12)16-7-4-10-22-16)11-19-8-2-5-14(19)15-6-3-9-21-15/h3-4,6-7,9-10,14H,2,5,8,11H2,1H3/t14-/m1/s1.
What are the key properties of 5-methyl-2-thiophen-2-yl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole?
5-methyl-2-thiophen-2-yl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 330.48 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-thiophen-2-yl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 30238946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).