3-[[(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole

C18H25N3O2S — CID 124797600

IUPAC3-[[(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2C[C@@H]3CCC[C@]3(COCc3csc(C)n3)C2)no1
InChIInChI=1S/C18H25N3O2S/c1-13-6-16(20-23-13)8-21-7-15-4-3-5-18(15,11-21)12-22-9-17-10-24-14(2)19-17/h6,10,15H,3-5,7-9,11-12H2,1-2H3/t15-,18+/m0/s1
InChIKeyIPNRFPBGHCCKRF-MAUKXSAKSA-N
MW347.48 g/mol
LogP3.57
Rot. Bonds6

About 3-[[(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole

3-[[(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 124797600) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 3-[[(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID124797600
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name3-[[(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2C[C@@H]3CCC[C@]3(COCc3csc(C)n3)C2)no1
InChIInChI=1S/C18H25N3O2S/c1-13-6-16(20-23-13)8-21-7-15-4-3-5-18(15,11-21)12-22-9-17-10-24-14(2)19-17/h6,10,15H,3-5,7-9,11-12H2,1-2H3/t15-,18+/m0/s1
InChIKeyIPNRFPBGHCCKRF-MAUKXSAKSA-N
XLogP3.57
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole (CID 124797600) is 3-[[(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2C[C@@H]3CCC[C@]3(COCc3csc(C)n3)C2)no1.
What is the InChIKey of 3-[[(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is IPNRFPBGHCCKRF-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-13-6-16(20-23-13)8-21-7-15-4-3-5-18(15,11-21)12-22-9-17-10-24-14(2)19-17/h6,10,15H,3-5,7-9,11-12H2,1-2H3/t15-,18+/m0/s1.
What are the key properties of 3-[[(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole?
3-[[(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 347.48 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 124797600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).