3-[(2R)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole

C16H22N2OS — CID 92502965

IUPAC3-[(2R)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
SMILESCCCc1cc([C@H]2CCCN2Cc2ccc(C)s2)no1
InChIInChI=1S/C16H22N2OS/c1-3-5-13-10-15(17-19-13)16-6-4-9-18(16)11-14-8-7-12(2)20-14/h7-8,10,16H,3-6,9,11H2,1-2H3/t16-/m1/s1
InChIKeyJZAWVNOSVZUJOI-MRXNPFEDSA-N
MW290.43 g/mol
LogP4.33
Rot. Bonds5

About 3-[(2R)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole

3-[(2R)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole (PubChem CID 92502965) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-[(2R)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(2R)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
PubChem CID92502965
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name3-[(2R)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
SMILESCCCc1cc([C@H]2CCCN2Cc2ccc(C)s2)no1
InChIInChI=1S/C16H22N2OS/c1-3-5-13-10-15(17-19-13)16-6-4-9-18(16)11-14-8-7-12(2)20-14/h7-8,10,16H,3-6,9,11H2,1-2H3/t16-/m1/s1
InChIKeyJZAWVNOSVZUJOI-MRXNPFEDSA-N
XLogP4.33
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92503010
3-[1-[(2-bromophenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809530
3-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92732080
5-propyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 46366481
3-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809446
3-[1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809397
3-[1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809513
3,5-dimethyl-4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 92502967
3-[(2S)-1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92732280
3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809492
3-[1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 47001732
[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115311784

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole?
The IUPAC name of 3-[(2R)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole (CID 92502965) is 3-[(2R)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole.
What is the SMILES notation for 3-[(2R)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole?
The canonical SMILES for 3-[(2R)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole is CCCc1cc([C@H]2CCCN2Cc2ccc(C)s2)no1.
What is the InChIKey of 3-[(2R)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole?
The InChIKey is JZAWVNOSVZUJOI-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-3-5-13-10-15(17-19-13)16-6-4-9-18(16)11-14-8-7-12(2)20-14/h7-8,10,16H,3-6,9,11H2,1-2H3/t16-/m1/s1.
What are the key properties of 3-[(2R)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole?
3-[(2R)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole has a molecular weight of 290.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole is sourced from PubChem (CID 92502965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).