3-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole

C18H24N2OS — CID 92503010

IUPAC3-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
SMILESCCCc1cc([C@@H]2CCCN2Cc2ccc(SC)cc2)no1
InChIInChI=1S/C18H24N2OS/c1-3-5-15-12-17(19-21-15)18-6-4-11-20(18)13-14-7-9-16(22-2)10-8-14/h7-10,12,18H,3-6,11,13H2,1-2H3/t18-/m0/s1
InChIKeyFBLRZRVEDYYASN-SFHVURJKSA-N
MW316.47 g/mol
LogP4.69
Rot. Bonds6

About 3-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole

3-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole (PubChem CID 92503010) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 3-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
PubChem CID92503010
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name3-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
SMILESCCCc1cc([C@@H]2CCCN2Cc2ccc(SC)cc2)no1
InChIInChI=1S/C18H24N2OS/c1-3-5-15-12-17(19-21-15)18-6-4-11-20(18)13-14-7-9-16(22-2)10-8-14/h7-10,12,18H,3-6,11,13H2,1-2H3/t18-/m0/s1
InChIKeyFBLRZRVEDYYASN-SFHVURJKSA-N
XLogP4.69
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809513
3-[(2R)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92502965
3-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809446
3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809492
3-[1-[(2-bromophenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809530
3-methyl-5-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 94415528
3-[(2S)-1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92732280
3-[1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809397
(2S)-N-[(4-fluorophenyl)methyl]-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95056305
3-[(2S)-1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92894039

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole?
The IUPAC name of 3-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole (CID 92503010) is 3-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole.
What is the SMILES notation for 3-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole?
The canonical SMILES for 3-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole is CCCc1cc([C@@H]2CCCN2Cc2ccc(SC)cc2)no1.
What is the InChIKey of 3-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole?
The InChIKey is FBLRZRVEDYYASN-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-3-5-15-12-17(19-21-15)18-6-4-11-20(18)13-14-7-9-16(22-2)10-8-14/h7-10,12,18H,3-6,11,13H2,1-2H3/t18-/m0/s1.
What are the key properties of 3-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole?
3-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole has a molecular weight of 316.47 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole is sourced from PubChem (CID 92503010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).