3,5-dimethyl-4-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole

C14H18N2OS — CID 95124993

IUPAC3,5-dimethyl-4-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1[C@@H]1CCCN1Cc1ccsc1
InChIInChI=1S/C14H18N2OS/c1-10-14(11(2)17-15-10)13-4-3-6-16(13)8-12-5-7-18-9-12/h5,7,9,13H,3-4,6,8H2,1-2H3/t13-/m0/s1
InChIKeyCMZNZTFPNDDBFG-ZDUSSCGKSA-N
MW262.38 g/mol
LogP3.69
Rot. Bonds3

About 3,5-dimethyl-4-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole

3,5-dimethyl-4-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 95124993) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
PubChem CID95124993
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name3,5-dimethyl-4-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1[C@@H]1CCCN1Cc1ccsc1
InChIInChI=1S/C14H18N2OS/c1-10-14(11(2)17-15-10)13-4-3-6-16(13)8-12-5-7-18-9-12/h5,7,9,13H,3-4,6,8H2,1-2H3/t13-/m0/s1
InChIKeyCMZNZTFPNDDBFG-ZDUSSCGKSA-N
XLogP3.69
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole
CID 53009622
4-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732569
3,5-dimethyl-4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
CID 99931192
3,5-dimethyl-4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 92502967
4-[(2S)-1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732091
5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-methoxyphenol
CID 50809373
N-benzyl-5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine
CID 77080114
1,5-dimethyl-4-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrazole
CID 84593793
4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732438
4-[(2R)-1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 95143216
3,5-dimethyl-4-[(2R)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 92732490
4-[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine
CID 74231053

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole (CID 95124993) is 3,5-dimethyl-4-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole is Cc1noc(C)c1[C@@H]1CCCN1Cc1ccsc1.
What is the InChIKey of 3,5-dimethyl-4-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is CMZNZTFPNDDBFG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-14(11(2)17-15-10)13-4-3-6-16(13)8-12-5-7-18-9-12/h5,7,9,13H,3-4,6,8H2,1-2H3/t13-/m0/s1.
What are the key properties of 3,5-dimethyl-4-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole?
3,5-dimethyl-4-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 262.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 95124993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).